2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-5-methyl-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol

C19H23N7O2 — CID 59548393

IUPAC2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-5-methyl-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol
SMILESCOc1ncc(Nc2ncc(C(C)(C)O)cc2-c2nc(C)nc(N)n2)cc1C
InChIInChI=1S/C19H23N7O2/c1-10-6-13(9-22-17(10)28-5)25-15-14(7-12(8-21-15)19(3,4)27)16-23-11(2)24-18(20)26-16/h6-9,27H,1-5H3,(H,21,25)(H2,20,23,24,26)
InChIKeyZVLPCWDGIPHSSN-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.51
Rot. Bonds5

About 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-5-methyl-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol

2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-5-methyl-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol (PubChem CID 59548393) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-5-methyl-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-5-methyl-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol
PubChem CID59548393
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC Name2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-5-methyl-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol
SMILESCOc1ncc(Nc2ncc(C(C)(C)O)cc2-c2nc(C)nc(N)n2)cc1C
InChIInChI=1S/C19H23N7O2/c1-10-6-13(9-22-17(10)28-5)25-15-14(7-12(8-21-15)19(3,4)27)16-23-11(2)24-18(20)26-16/h6-9,27H,1-5H3,(H,21,25)(H2,20,23,24,26)
InChIKeyZVLPCWDGIPHSSN-UHFFFAOYSA-N
XLogP2.51
TPSA131.96 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-5-methyl-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-5-methyl-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol (CID 59548393) is 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-5-methyl-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-5-methyl-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-5-methyl-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol is COc1ncc(Nc2ncc(C(C)(C)O)cc2-c2nc(C)nc(N)n2)cc1C.
What is the InChIKey of 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-5-methyl-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol?
The InChIKey is ZVLPCWDGIPHSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-10-6-13(9-22-17(10)28-5)25-15-14(7-12(8-21-15)19(3,4)27)16-23-11(2)24-18(20)26-16/h6-9,27H,1-5H3,(H,21,25)(H2,20,23,24,26).
What are the key properties of 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-5-methyl-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol?
2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-5-methyl-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol has a molecular weight of 381.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-5-methyl-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 59548393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).