2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(2-methylpropyl)pyrido[2,3-d]pyrimidin-7-one

C18H21N5O2 — CID 59258926

IUPAC2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(2-methylpropyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(-c2cc3c(C)nc(N)nc3n(CC(C)C)c2=O)cn1
InChIInChI=1S/C18H21N5O2/c1-10(2)9-23-16-13(11(3)21-18(19)22-16)7-14(17(23)24)12-5-6-15(25-4)20-8-12/h5-8,10H,9H2,1-4H3,(H2,19,21,22)
InChIKeyDYXQQYIVBKEQMC-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.41
Rot. Bonds4

About 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(2-methylpropyl)pyrido[2,3-d]pyrimidin-7-one

2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(2-methylpropyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 59258926) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(2-methylpropyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(2-methylpropyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID59258926
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(2-methylpropyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(-c2cc3c(C)nc(N)nc3n(CC(C)C)c2=O)cn1
InChIInChI=1S/C18H21N5O2/c1-10(2)9-23-16-13(11(3)21-18(19)22-16)7-14(17(23)24)12-5-6-15(25-4)20-8-12/h5-8,10H,9H2,1-4H3,(H2,19,21,22)
InChIKeyDYXQQYIVBKEQMC-UHFFFAOYSA-N
XLogP2.41
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(2-methylpropyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(2-methylpropyl)pyrido[2,3-d]pyrimidin-7-one (CID 59258926) is 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(2-methylpropyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(2-methylpropyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(2-methylpropyl)pyrido[2,3-d]pyrimidin-7-one is COc1ccc(-c2cc3c(C)nc(N)nc3n(CC(C)C)c2=O)cn1.
What is the InChIKey of 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(2-methylpropyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is DYXQQYIVBKEQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-10(2)9-23-16-13(11(3)21-18(19)22-16)7-14(17(23)24)12-5-6-15(25-4)20-8-12/h5-8,10H,9H2,1-4H3,(H2,19,21,22).
What are the key properties of 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(2-methylpropyl)pyrido[2,3-d]pyrimidin-7-one?
2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(2-methylpropyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 339.40 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(2-methylpropyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59258926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).