2-amino-8-cyclopentyl-6-(2-methoxypyrimidin-5-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one

C18H20N6O2 — CID 59259015

IUPAC2-amino-8-cyclopentyl-6-(2-methoxypyrimidin-5-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ncc(-c2cc3c(C)nc(N)nc3n(C3CCCC3)c2=O)cn1
InChIInChI=1S/C18H20N6O2/c1-10-13-7-14(11-8-20-18(26-2)21-9-11)16(25)24(12-5-3-4-6-12)15(13)23-17(19)22-10/h7-9,12H,3-6H2,1-2H3,(H2,19,22,23)
InChIKeyHNEJUXXHBRXUKZ-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.26
Rot. Bonds3

About 2-amino-8-cyclopentyl-6-(2-methoxypyrimidin-5-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one

2-amino-8-cyclopentyl-6-(2-methoxypyrimidin-5-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 59259015) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 2-amino-8-cyclopentyl-6-(2-methoxypyrimidin-5-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-8-cyclopentyl-6-(2-methoxypyrimidin-5-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID59259015
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name2-amino-8-cyclopentyl-6-(2-methoxypyrimidin-5-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ncc(-c2cc3c(C)nc(N)nc3n(C3CCCC3)c2=O)cn1
InChIInChI=1S/C18H20N6O2/c1-10-13-7-14(11-8-20-18(26-2)21-9-11)16(25)24(12-5-3-4-6-12)15(13)23-17(19)22-10/h7-9,12H,3-6H2,1-2H3,(H2,19,22,23)
InChIKeyHNEJUXXHBRXUKZ-UHFFFAOYSA-N
XLogP2.26
TPSA108.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-cyclopentyl-6-(2-methoxypyrimidin-5-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-8-cyclopentyl-6-(2-methoxypyrimidin-5-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one (CID 59259015) is 2-amino-8-cyclopentyl-6-(2-methoxypyrimidin-5-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-8-cyclopentyl-6-(2-methoxypyrimidin-5-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-8-cyclopentyl-6-(2-methoxypyrimidin-5-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one is COc1ncc(-c2cc3c(C)nc(N)nc3n(C3CCCC3)c2=O)cn1.
What is the InChIKey of 2-amino-8-cyclopentyl-6-(2-methoxypyrimidin-5-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HNEJUXXHBRXUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-10-13-7-14(11-8-20-18(26-2)21-9-11)16(25)24(12-5-3-4-6-12)15(13)23-17(19)22-10/h7-9,12H,3-6H2,1-2H3,(H2,19,22,23).
What are the key properties of 2-amino-8-cyclopentyl-6-(2-methoxypyrimidin-5-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one?
2-amino-8-cyclopentyl-6-(2-methoxypyrimidin-5-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 352.40 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-cyclopentyl-6-(2-methoxypyrimidin-5-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59259015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).