4-amino-2-methylsulfanylpyrimidine-5-carbaldehyde;(4-amino-2-methylsulfanylpyrimidin-5-yl)methanol;7-chloro-2-methylsulfanylpyrido[2,3-d]pyrimidine;ethyl 4-amino-2-methylsulfanylpyrimidine-5-carboxylate;ethyl (E)-3-(4-amino-2-methylsulfanylpyrimidin-5-yl)prop-2-enoate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine;2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one;2-methylsulfinylpyrido[2,3-d]pyrimidin-7-amine;molecular hydrogen

C70H80Cl2N28O10S9 — CID 158008640

About 4-amino-2-methylsulfanylpyrimidine-5-carbaldehyde;(4-amino-2-methylsulfanylpyrimidin-5-yl)methanol;7-chloro-2-methylsulfanylpyrido[2,3-d]pyrimidine;ethyl 4-amino-2-methylsulfanylpyrimidine-5-carboxylate;ethyl (E)-3-(4-amino-2-methylsulfanylpyrimidin-5-yl)prop-2-enoate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine;2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one;2-methylsulfinylpyrido[2,3-d]pyrimidin-7-amine;molecular hydrogen

4-amino-2-methylsulfanylpyrimidine-5-carbaldehyde;(4-amino-2-methylsulfanylpyrimidin-5-yl)methanol;7-chloro-2-methylsulfanylpyrido[2,3-d]pyrimidine;ethyl 4-amino-2-methylsulfanylpyrimidine-5-carboxylate;ethyl (E)-3-(4-amino-2-methylsulfanylpyrimidin-5-yl)prop-2-enoate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine;2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one;2-methylsulfinylpyrido[2,3-d]pyrimidin-7-amine;molecular hydrogen (PubChem CID 158008640) has the molecular formula C70H80Cl2N28O10S9 and a molecular weight of 1833.10 g/mol. Its IUPAC name is 4-amino-2-methylsulfanylpyrimidine-5-carbaldehyde;(4-amino-2-methylsulfanylpyrimidin-5-yl)methanol;7-chloro-2-methylsulfanylpyrido[2,3-d]pyrimidine;ethyl 4-amino-2-methylsulfanylpyrimidine-5-carboxylate;ethyl (E)-3-(4-amino-2-methylsulfanylpyrimidin-5-yl)prop-2-enoate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine;2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one;2-methylsulfinylpyrido[2,3-d]pyrimidin-7-amine;molecular hydrogen.

Molecular Properties

• Compound Name: 4-amino-2-methylsulfanylpyrimidine-5-carbaldehyde;(4-amino-2-methylsulfanylpyrimidin-5-yl)methanol;7-chloro-2-methylsulfanylpyrido[2,3-d]pyrimidine;ethyl 4-amino-2-methylsulfanylpyrimidine-5-carboxylate;ethyl (E)-3-(4-amino-2-methylsulfanylpyrimidin-5-yl)prop-2-enoate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine;2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one;2-methylsulfinylpyrido[2,3-d]pyrimidin-7-amine;molecular hydrogen
• PubChem CID: 158008640
• Molecular Formula: C70H80Cl2N28O10S9
• Molecular Weight: 1833.10 g/mol
• Exact Mass: 1830.35
• IUPAC Name: 4-amino-2-methylsulfanylpyrimidine-5-carbaldehyde;(4-amino-2-methylsulfanylpyrimidin-5-yl)methanol;7-chloro-2-methylsulfanylpyrido[2,3-d]pyrimidine;ethyl 4-amino-2-methylsulfanylpyrimidine-5-carboxylate;ethyl (E)-3-(4-amino-2-methylsulfanylpyrimidin-5-yl)prop-2-enoate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine;2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one;2-methylsulfinylpyrido[2,3-d]pyrimidin-7-amine;molecular hydrogen
• SMILES: CCOC(=O)/C=C/c1cnc(SC)nc1N.CCOC(=O)c1cnc(SC)nc1Cl.CCOC(=O)c1cnc(SC)nc1N.CS(=O)c1ncc2ccc(N)nc2n1.CSc1ncc(C=O)c(N)n1.CSc1ncc(CO)c(N)n1.CSc1ncc2ccc(=O)[nH]c2n1.CSc1ncc2ccc(Cl)nc2n1.CSc1ncc2ccc(N)nc2n1.[H][H]
• InChI: InChI=1S/C10H13N3O2S.C8H6ClN3S.C8H9ClN2O2S.C8H8N4OS.C8H8N4S.C8H11N3O2S.C8H7N3OS.C6H9N3OS.C6H7N3OS.H2/c1-3-15-8(14)5-4-7-6-12-10(16-2)13-9(7)11;1-13-8-10-4-5-2-3-6(9)11-7(5)12-8;1-3-13-7(12)5-4-10-8(14-2)11-6(5)9;1-14(13)8-10-4-5-2-3-6(9)11-7(5)12-8;1-13-8-10-4-5-2-3-6(9)11-7(5)12-8;1-3-13-7(12)5-4-10-8(14-2)11-6(5)9;1-13-8-9-4-5-2-3-6(12)10-7(5)11-8;2*1-11-6-8-2-4(3-10)5(7)9-6;/h4-6H,3H2,1-2H3,(H2,11,12,13);2-4H,1H3;4H,3H2,1-2H3;2-4H,1H3,(H2,9,10,11,12);2-4H,1H3,(H2,9,10,11,12);4H,3H2,1-2H3,(H2,9,10,11);2-4H,1H3,(H,9,10,11,12);2,10H,3H2,1H3,(H2,7,8,9);2-3H,1H3,(H2,7,8,9);1H/b5-4+
• InChIKey: FEPOSLXPSVGHRZ-PCDGNHDNSA-N
• XLogP: 10.57
• TPSA: 592.94 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 45
• Rotatable Bonds: 18
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1833.10
LogP ≤ 5	10.57
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methylsulfanylpyrimidine-5-carbaldehyde;(4-amino-2-methylsulfanylpyrimidin-5-yl)methanol;7-chloro-2-methylsulfanylpyrido[2,3-d]pyrimidine;ethyl 4-amino-2-methylsulfanylpyrimidine-5-carboxylate;ethyl (E)-3-(4-amino-2-methylsulfanylpyrimidin-5-yl)prop-2-enoate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine;2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one;2-methylsulfinylpyrido[2,3-d]pyrimidin-7-amine;molecular hydrogen?

The IUPAC name of 4-amino-2-methylsulfanylpyrimidine-5-carbaldehyde;(4-amino-2-methylsulfanylpyrimidin-5-yl)methanol;7-chloro-2-methylsulfanylpyrido[2,3-d]pyrimidine;ethyl 4-amino-2-methylsulfanylpyrimidine-5-carboxylate;ethyl (E)-3-(4-amino-2-methylsulfanylpyrimidin-5-yl)prop-2-enoate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine;2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one;2-methylsulfinylpyrido[2,3-d]pyrimidin-7-amine;molecular hydrogen (CID 158008640) is 4-amino-2-methylsulfanylpyrimidine-5-carbaldehyde;(4-amino-2-methylsulfanylpyrimidin-5-yl)methanol;7-chloro-2-methylsulfanylpyrido[2,3-d]pyrimidine;ethyl 4-amino-2-methylsulfanylpyrimidine-5-carboxylate;ethyl (E)-3-(4-amino-2-methylsulfanylpyrimidin-5-yl)prop-2-enoate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine;2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one;2-methylsulfinylpyrido[2,3-d]pyrimidin-7-amine;molecular hydrogen.

What is the SMILES notation for 4-amino-2-methylsulfanylpyrimidine-5-carbaldehyde;(4-amino-2-methylsulfanylpyrimidin-5-yl)methanol;7-chloro-2-methylsulfanylpyrido[2,3-d]pyrimidine;ethyl 4-amino-2-methylsulfanylpyrimidine-5-carboxylate;ethyl (E)-3-(4-amino-2-methylsulfanylpyrimidin-5-yl)prop-2-enoate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine;2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one;2-methylsulfinylpyrido[2,3-d]pyrimidin-7-amine;molecular hydrogen?

The canonical SMILES for 4-amino-2-methylsulfanylpyrimidine-5-carbaldehyde;(4-amino-2-methylsulfanylpyrimidin-5-yl)methanol;7-chloro-2-methylsulfanylpyrido[2,3-d]pyrimidine;ethyl 4-amino-2-methylsulfanylpyrimidine-5-carboxylate;ethyl (E)-3-(4-amino-2-methylsulfanylpyrimidin-5-yl)prop-2-enoate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine;2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one;2-methylsulfinylpyrido[2,3-d]pyrimidin-7-amine;molecular hydrogen is CCOC(=O)/C=C/c1cnc(SC)nc1N.CCOC(=O)c1cnc(SC)nc1Cl.CCOC(=O)c1cnc(SC)nc1N.CS(=O)c1ncc2ccc(N)nc2n1.CSc1ncc(C=O)c(N)n1.CSc1ncc(CO)c(N)n1.CSc1ncc2ccc(=O)[nH]c2n1.CSc1ncc2ccc(Cl)nc2n1.CSc1ncc2ccc(N)nc2n1.[H][H].

What is the InChIKey of 4-amino-2-methylsulfanylpyrimidine-5-carbaldehyde;(4-amino-2-methylsulfanylpyrimidin-5-yl)methanol;7-chloro-2-methylsulfanylpyrido[2,3-d]pyrimidine;ethyl 4-amino-2-methylsulfanylpyrimidine-5-carboxylate;ethyl (E)-3-(4-amino-2-methylsulfanylpyrimidin-5-yl)prop-2-enoate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine;2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one;2-methylsulfinylpyrido[2,3-d]pyrimidin-7-amine;molecular hydrogen?

The InChIKey is FEPOSLXPSVGHRZ-PCDGNHDNSA-N. The full InChI is InChI=1S/C10H13N3O2S.C8H6ClN3S.C8H9ClN2O2S.C8H8N4OS.C8H8N4S.C8H11N3O2S.C8H7N3OS.C6H9N3OS.C6H7N3OS.H2/c1-3-15-8(14)5-4-7-6-12-10(16-2)13-9(7)11;1-13-8-10-4-5-2-3-6(9)11-7(5)12-8;1-3-13-7(12)5-4-10-8(14-2)11-6(5)9;1-14(13)8-10-4-5-2-3-6(9)11-7(5)12-8;1-13-8-10-4-5-2-3-6(9)11-7(5)12-8;1-3-13-7(12)5-4-10-8(14-2)11-6(5)9;1-13-8-9-4-5-2-3-6(12)10-7(5)11-8;2*1-11-6-8-2-4(3-10)5(7)9-6;/h4-6H,3H2,1-2H3,(H2,11,12,13);2-4H,1H3;4H,3H2,1-2H3;2-4H,1H3,(H2,9,10,11,12);2-4H,1H3,(H2,9,10,11,12);4H,3H2,1-2H3,(H2,9,10,11);2-4H,1H3,(H,9,10,11,12);2,10H,3H2,1H3,(H2,7,8,9);2-3H,1H3,(H2,7,8,9);1H/b5-4+;;;;;;;;;.

What are the key properties of 4-amino-2-methylsulfanylpyrimidine-5-carbaldehyde;(4-amino-2-methylsulfanylpyrimidin-5-yl)methanol;7-chloro-2-methylsulfanylpyrido[2,3-d]pyrimidine;ethyl 4-amino-2-methylsulfanylpyrimidine-5-carboxylate;ethyl (E)-3-(4-amino-2-methylsulfanylpyrimidin-5-yl)prop-2-enoate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine;2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one;2-methylsulfinylpyrido[2,3-d]pyrimidin-7-amine;molecular hydrogen?

4-amino-2-methylsulfanylpyrimidine-5-carbaldehyde;(4-amino-2-methylsulfanylpyrimidin-5-yl)methanol;7-chloro-2-methylsulfanylpyrido[2,3-d]pyrimidine;ethyl 4-amino-2-methylsulfanylpyrimidine-5-carboxylate;ethyl (E)-3-(4-amino-2-methylsulfanylpyrimidin-5-yl)prop-2-enoate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine;2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one;2-methylsulfinylpyrido[2,3-d]pyrimidin-7-amine;molecular hydrogen has a molecular weight of 1833.10 g/mol, XLogP of 10.57, 18 rotatable bonds, 8 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-methylsulfanylpyrimidine-5-carbaldehyde;(4-amino-2-methylsulfanylpyrimidin-5-yl)methanol;7-chloro-2-methylsulfanylpyrido[2,3-d]pyrimidine;ethyl 4-amino-2-methylsulfanylpyrimidine-5-carboxylate;ethyl (E)-3-(4-amino-2-methylsulfanylpyrimidin-5-yl)prop-2-enoate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine;2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one;2-methylsulfinylpyrido[2,3-d]pyrimidin-7-amine;molecular hydrogen is sourced from PubChem (CID 158008640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).