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

C19H21N5O3 — CID 59258894

IUPAC2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(-c2cc3c(C)nc(N)nc3n(C3CCOCC3)c2=O)cn1
InChIInChI=1S/C19H21N5O3/c1-11-14-9-15(12-3-4-16(26-2)21-10-12)18(25)24(13-5-7-27-8-6-13)17(14)23-19(20)22-11/h3-4,9-10,13H,5-8H2,1-2H3,(H2,20,22,23)
InChIKeyKXSMKVQEHUCHOE-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.10
Rot. Bonds3

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

2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 59258894) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID59258894
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(-c2cc3c(C)nc(N)nc3n(C3CCOCC3)c2=O)cn1
InChIInChI=1S/C19H21N5O3/c1-11-14-9-15(12-3-4-16(26-2)21-10-12)18(25)24(13-5-7-27-8-6-13)17(14)23-19(20)22-11/h3-4,9-10,13H,5-8H2,1-2H3,(H2,20,22,23)
InChIKeyKXSMKVQEHUCHOE-UHFFFAOYSA-N
XLogP2.10
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one (CID 59258894) is 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one is COc1ccc(-c2cc3c(C)nc(N)nc3n(C3CCOCC3)c2=O)cn1.
What is the InChIKey of 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is KXSMKVQEHUCHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-11-14-9-15(12-3-4-16(26-2)21-10-12)18(25)24(13-5-7-27-8-6-13)17(14)23-19(20)22-11/h3-4,9-10,13H,5-8H2,1-2H3,(H2,20,22,23).
What are the key properties of 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one?
2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 367.41 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59258894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).