2-amino-6-(6-amino-3-pyridinyl)-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one;oxane

C18H22N6O2 — CID 143970024

IUPAC2-amino-6-(6-amino-3-pyridinyl)-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one;oxane
SMILESC1CCOCC1.Cc1nc(N)nc2[nH]c(=O)c(-c3ccc(N)nc3)cc12
InChIInChI=1S/C13H12N6O.C5H10O/c1-6-8-4-9(7-2-3-10(14)16-5-7)12(20)18-11(8)19-13(15)17-6;1-2-4-6-5-3-1/h2-5H,1H3,(H2,14,16)(H3,15,17,18,19,20);1-5H2
InChIKeyQGPWALXTSHOWRM-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.04
Rot. Bonds1

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

2-amino-6-(6-amino-3-pyridinyl)-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one;oxane (PubChem CID 143970024) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-amino-6-(6-amino-3-pyridinyl)-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one;oxane.

Molecular Properties

Compound Name2-amino-6-(6-amino-3-pyridinyl)-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one;oxane
PubChem CID143970024
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name2-amino-6-(6-amino-3-pyridinyl)-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one;oxane
SMILESC1CCOCC1.Cc1nc(N)nc2[nH]c(=O)c(-c3ccc(N)nc3)cc12
InChIInChI=1S/C13H12N6O.C5H10O/c1-6-8-4-9(7-2-3-10(14)16-5-7)12(20)18-11(8)19-13(15)17-6;1-2-4-6-5-3-1/h2-5H,1H3,(H2,14,16)(H3,15,17,18,19,20);1-5H2
InChIKeyQGPWALXTSHOWRM-UHFFFAOYSA-N
XLogP2.04
TPSA132.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(6-amino-3-pyridinyl)-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one;oxane?
The IUPAC name of 2-amino-6-(6-amino-3-pyridinyl)-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one;oxane (CID 143970024) is 2-amino-6-(6-amino-3-pyridinyl)-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one;oxane.
What is the SMILES notation for 2-amino-6-(6-amino-3-pyridinyl)-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one;oxane?
The canonical SMILES for 2-amino-6-(6-amino-3-pyridinyl)-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one;oxane is C1CCOCC1.Cc1nc(N)nc2[nH]c(=O)c(-c3ccc(N)nc3)cc12.
What is the InChIKey of 2-amino-6-(6-amino-3-pyridinyl)-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one;oxane?
The InChIKey is QGPWALXTSHOWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O.C5H10O/c1-6-8-4-9(7-2-3-10(14)16-5-7)12(20)18-11(8)19-13(15)17-6;1-2-4-6-5-3-1/h2-5H,1H3,(H2,14,16)(H3,15,17,18,19,20);1-5H2.
What are the key properties of 2-amino-6-(6-amino-3-pyridinyl)-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one;oxane?
2-amino-6-(6-amino-3-pyridinyl)-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one;oxane has a molecular weight of 354.41 g/mol, XLogP of 2.04, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(6-amino-3-pyridinyl)-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one;oxane is sourced from PubChem (CID 143970024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).