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

C17H17N5O2 — CID 59259002

IUPAC2-amino-8-cyclopropyl-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(-c2cc3c(C)nc(N)nc3n(C3CC3)c2=O)cn1
InChIInChI=1S/C17H17N5O2/c1-9-12-7-13(10-3-6-14(24-2)19-8-10)16(23)22(11-4-5-11)15(12)21-17(18)20-9/h3,6-8,11H,4-5H2,1-2H3,(H2,18,20,21)
InChIKeyZJHXTZUQHWPNKV-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.09
Rot. Bonds3

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

2-amino-8-cyclopropyl-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 59259002) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-amino-8-cyclopropyl-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-8-cyclopropyl-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID59259002
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name2-amino-8-cyclopropyl-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(-c2cc3c(C)nc(N)nc3n(C3CC3)c2=O)cn1
InChIInChI=1S/C17H17N5O2/c1-9-12-7-13(10-3-6-14(24-2)19-8-10)16(23)22(11-4-5-11)15(12)21-17(18)20-9/h3,6-8,11H,4-5H2,1-2H3,(H2,18,20,21)
InChIKeyZJHXTZUQHWPNKV-UHFFFAOYSA-N
XLogP2.09
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-cyclopropyl-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-8-cyclopropyl-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one (CID 59259002) is 2-amino-8-cyclopropyl-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-8-cyclopropyl-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-8-cyclopropyl-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one is COc1ccc(-c2cc3c(C)nc(N)nc3n(C3CC3)c2=O)cn1.
What is the InChIKey of 2-amino-8-cyclopropyl-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ZJHXTZUQHWPNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-9-12-7-13(10-3-6-14(24-2)19-8-10)16(23)22(11-4-5-11)15(12)21-17(18)20-9/h3,6-8,11H,4-5H2,1-2H3,(H2,18,20,21).
What are the key properties of 2-amino-8-cyclopropyl-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
2-amino-8-cyclopropyl-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 323.36 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-cyclopropyl-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59259002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).