2-amino-8-(2-aminoethyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one

C16H18N6O2 — CID 59258885

IUPAC2-amino-8-(2-aminoethyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(-c2cc3c(C)nc(N)nc3n(CCN)c2=O)cn1
InChIInChI=1S/C16H18N6O2/c1-9-11-7-12(10-3-4-13(24-2)19-8-10)15(23)22(6-5-17)14(11)21-16(18)20-9/h3-4,7-8H,5-6,17H2,1-2H3,(H2,18,20,21)
InChIKeyJRPMSPMSCBZJEK-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.71
Rot. Bonds4

About 2-amino-8-(2-aminoethyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one

2-amino-8-(2-aminoethyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 59258885) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-amino-8-(2-aminoethyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-8-(2-aminoethyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID59258885
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name2-amino-8-(2-aminoethyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(-c2cc3c(C)nc(N)nc3n(CCN)c2=O)cn1
InChIInChI=1S/C16H18N6O2/c1-9-11-7-12(10-3-4-13(24-2)19-8-10)15(23)22(6-5-17)14(11)21-16(18)20-9/h3-4,7-8H,5-6,17H2,1-2H3,(H2,18,20,21)
InChIKeyJRPMSPMSCBZJEK-UHFFFAOYSA-N
XLogP0.71
TPSA121.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-(2-aminoethyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-8-(2-aminoethyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one (CID 59258885) is 2-amino-8-(2-aminoethyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-8-(2-aminoethyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-8-(2-aminoethyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one is COc1ccc(-c2cc3c(C)nc(N)nc3n(CCN)c2=O)cn1.
What is the InChIKey of 2-amino-8-(2-aminoethyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is JRPMSPMSCBZJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-9-11-7-12(10-3-4-13(24-2)19-8-10)15(23)22(6-5-17)14(11)21-16(18)20-9/h3-4,7-8H,5-6,17H2,1-2H3,(H2,18,20,21).
What are the key properties of 2-amino-8-(2-aminoethyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
2-amino-8-(2-aminoethyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 326.36 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-(2-aminoethyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59258885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).