methane;5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(6-methoxy-5-methylsulfinyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine

C29H42N10O5S2 — CID 159967238

About methane;5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(6-methoxy-5-methylsulfinyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine

methane;5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(6-methoxy-5-methylsulfinyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine (PubChem CID 159967238) has the molecular formula C29H42N10O5S2 and a molecular weight of 674.85 g/mol. Its IUPAC name is methane;5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(6-methoxy-5-methylsulfinyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: methane;5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(6-methoxy-5-methylsulfinyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
• PubChem CID: 159967238
• Molecular Formula: C29H42N10O5S2
• Molecular Weight: 674.85 g/mol
• Exact Mass: 674.28
• IUPAC Name: methane;5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(6-methoxy-5-methylsulfinyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
• SMILES: C.COc1nc(C(C)C)c(Oc2cnc(N)nc2N)cc1S(C)=O.COc1nc(C(C)C)c(Oc2cnc(N)nc2N)cc1SC
• InChI: InChI=1S/C14H19N5O3S.C14H19N5O2S.CH4/c1-7(2)11-8(5-10(23(4)20)13(18-11)21-3)22-9-6-17-14(16)19-12(9)15;1-7(2)11-8(5-10(22-4)13(18-11)20-3)21-9-6-17-14(16)19-12(9)15;/h5-7H,1-4H3,(H4,15,16,17,19);5-7H,1-4H3,(H4,15,16,17,19);1H4
• InChIKey: OEBYDQYNWQXMGQ-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 235.41 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	674.85
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of methane;5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(6-methoxy-5-methylsulfinyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine?

The IUPAC name of methane;5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(6-methoxy-5-methylsulfinyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine (CID 159967238) is methane;5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(6-methoxy-5-methylsulfinyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine.

What is the SMILES notation for methane;5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(6-methoxy-5-methylsulfinyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine?

The canonical SMILES for methane;5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(6-methoxy-5-methylsulfinyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine is C.COc1nc(C(C)C)c(Oc2cnc(N)nc2N)cc1S(C)=O.COc1nc(C(C)C)c(Oc2cnc(N)nc2N)cc1SC.

What is the InChIKey of methane;5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(6-methoxy-5-methylsulfinyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine?

The InChIKey is OEBYDQYNWQXMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S.C14H19N5O2S.CH4/c1-7(2)11-8(5-10(23(4)20)13(18-11)21-3)22-9-6-17-14(16)19-12(9)15;1-7(2)11-8(5-10(22-4)13(18-11)20-3)21-9-6-17-14(16)19-12(9)15;/h5-7H,1-4H3,(H4,15,16,17,19);5-7H,1-4H3,(H4,15,16,17,19);1H4.

What are the key properties of methane;5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(6-methoxy-5-methylsulfinyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine?

methane;5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(6-methoxy-5-methylsulfinyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine has a molecular weight of 674.85 g/mol, XLogP of 5.02, 10 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for methane;5-[(6-methoxy-5-methylsulfanyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine;5-[(6-methoxy-5-methylsulfinyl-2-propan-2-yl-3-pyridinyl)oxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 159967238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).