(3R)-3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;4-chloro-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(3R)-3-(6-methoxy-3-pyridinyl)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]propan-1-ol

C44H53ClN12O4 — CID 162100884

About (3R)-3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;4-chloro-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(3R)-3-(6-methoxy-3-pyridinyl)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]propan-1-ol

(3R)-3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;4-chloro-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(3R)-3-(6-methoxy-3-pyridinyl)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]propan-1-ol (PubChem CID 162100884) has the molecular formula C44H53ClN12O4 and a molecular weight of 849.44 g/mol. Its IUPAC name is (3R)-3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;4-chloro-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(3R)-3-(6-methoxy-3-pyridinyl)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]propan-1-ol.

Molecular Properties

• Compound Name: (3R)-3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;4-chloro-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(3R)-3-(6-methoxy-3-pyridinyl)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]propan-1-ol
• PubChem CID: 162100884
• Molecular Formula: C44H53ClN12O4
• Molecular Weight: 849.44 g/mol
• Exact Mass: 848.40
• IUPAC Name: (3R)-3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;4-chloro-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(3R)-3-(6-methoxy-3-pyridinyl)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]propan-1-ol
• SMILES: COc1ccc([C@@H](CCO)Nc2ncnc3c2CN(c2ccc(C)cn2)CC3)cn1.COc1ccc([C@H](N)CCO)cn1.Cc1ccc(N2CCc3ncnc(Cl)c3C2)nc1
• InChI: InChI=1S/C22H26N6O2.C13H13ClN4.C9H14N2O2/c1-15-3-5-20(23-11-15)28-9-7-19-17(13-28)22(26-14-25-19)27-18(8-10-29)16-4-6-21(30-2)24-12-16;1-9-2-3-12(15-6-9)18-5-4-11-10(7-18)13(14)17-8-16-11;1-13-9-3-2-7(6-11-9)8(10)4-5-12/h3-6,11-12,14,18,29H,7-10,13H2,1-2H3,(H,25,26,27);2-3,6,8H,4-5,7H2,1H3;2-3,6,8,12H,4-5,10H2,1H3/t18-;;8-/m1.1/s1
• InChIKey: ZEWCZMCEMDLVPB-GJIYLDJESA-N
• XLogP: 5.55
• TPSA: 206.57 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	849.44
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;4-chloro-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(3R)-3-(6-methoxy-3-pyridinyl)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]propan-1-ol?

The IUPAC name of (3R)-3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;4-chloro-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(3R)-3-(6-methoxy-3-pyridinyl)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]propan-1-ol (CID 162100884) is (3R)-3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;4-chloro-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(3R)-3-(6-methoxy-3-pyridinyl)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]propan-1-ol.

What is the SMILES notation for (3R)-3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;4-chloro-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(3R)-3-(6-methoxy-3-pyridinyl)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]propan-1-ol?

The canonical SMILES for (3R)-3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;4-chloro-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(3R)-3-(6-methoxy-3-pyridinyl)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]propan-1-ol is COc1ccc([C@@H](CCO)Nc2ncnc3c2CN(c2ccc(C)cn2)CC3)cn1.COc1ccc([C@H](N)CCO)cn1.Cc1ccc(N2CCc3ncnc(Cl)c3C2)nc1.

What is the InChIKey of (3R)-3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;4-chloro-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(3R)-3-(6-methoxy-3-pyridinyl)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]propan-1-ol?

The InChIKey is ZEWCZMCEMDLVPB-GJIYLDJESA-N. The full InChI is InChI=1S/C22H26N6O2.C13H13ClN4.C9H14N2O2/c1-15-3-5-20(23-11-15)28-9-7-19-17(13-28)22(26-14-25-19)27-18(8-10-29)16-4-6-21(30-2)24-12-16;1-9-2-3-12(15-6-9)18-5-4-11-10(7-18)13(14)17-8-16-11;1-13-9-3-2-7(6-11-9)8(10)4-5-12/h3-6,11-12,14,18,29H,7-10,13H2,1-2H3,(H,25,26,27);2-3,6,8H,4-5,7H2,1H3;2-3,6,8,12H,4-5,10H2,1H3/t18-;;8-/m1.1/s1.

What are the key properties of (3R)-3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;4-chloro-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(3R)-3-(6-methoxy-3-pyridinyl)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]propan-1-ol?

(3R)-3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;4-chloro-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(3R)-3-(6-methoxy-3-pyridinyl)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]propan-1-ol has a molecular weight of 849.44 g/mol, XLogP of 5.55, 12 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;4-chloro-6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(3R)-3-(6-methoxy-3-pyridinyl)-3-[[6-(5-methyl-2-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 162100884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).