2-amino-8-ethyl-4-methyl-6-prop-1-en-2-ylpyrido[2,3-d]pyrimidin-7-one

C13H16N4O — CID 123671961

IUPAC2-amino-8-ethyl-4-methyl-6-prop-1-en-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESC=C(C)c1cc2c(C)nc(N)nc2n(CC)c1=O
InChIInChI=1S/C13H16N4O/c1-5-17-11-10(8(4)15-13(14)16-11)6-9(7(2)3)12(17)18/h6H,2,5H2,1,3-4H3,(H2,14,15,16)
InChIKeySBKCHAURAHBVIY-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.74
Rot. Bonds2

About 2-amino-8-ethyl-4-methyl-6-prop-1-en-2-ylpyrido[2,3-d]pyrimidin-7-one

2-amino-8-ethyl-4-methyl-6-prop-1-en-2-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 123671961) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-amino-8-ethyl-4-methyl-6-prop-1-en-2-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-8-ethyl-4-methyl-6-prop-1-en-2-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID123671961
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-amino-8-ethyl-4-methyl-6-prop-1-en-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESC=C(C)c1cc2c(C)nc(N)nc2n(CC)c1=O
InChIInChI=1S/C13H16N4O/c1-5-17-11-10(8(4)15-13(14)16-11)6-9(7(2)3)12(17)18/h6H,2,5H2,1,3-4H3,(H2,14,15,16)
InChIKeySBKCHAURAHBVIY-UHFFFAOYSA-N
XLogP1.74
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-8-ethyl-2-(ethylamino)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one
CID 886207
6-Bromo-4-methyl-2-(methylamino)-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
CID 59258867
2-amino-4-methyl-6-(2-oxo-1H-pyrimidin-5-yl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 59258868
2-Amino-6-bromo-8-(2-hydroxy-2-methylpropyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 59258869
2-Amino-6-bromo-4-methyl-8-(4-oxocyclohexyl)pyrido[2,3-d]pyrimidin-7-one
CID 59258999
2-Amino-6-bromo-4-methyl-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
CID 59259006
3-[8-Cyclopentyl-2-(ethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]propanamide
CID 59258902
4-amino-2,7-dimethyl-6H-pyrido[4,3-d]pyrimidin-5-one
CID 56664931
2,4-diamino-7-methyl-6H-pyrido[4,3-d]pyrimidin-5-one
CID 56681908
6-(2-{[2-(Dimethylamino)-5,6-dimethylpyrimidin-4-YL]amino}ethyl)-2-methylpyrimidin-4-OL
CID 136069341
2,4-dimethyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 12795380
2-amino-8-cyclopentyl-6-(5,6-difluoro-6-methoxy-1H-pyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 67246185

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-ethyl-4-methyl-6-prop-1-en-2-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-8-ethyl-4-methyl-6-prop-1-en-2-ylpyrido[2,3-d]pyrimidin-7-one (CID 123671961) is 2-amino-8-ethyl-4-methyl-6-prop-1-en-2-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-8-ethyl-4-methyl-6-prop-1-en-2-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-8-ethyl-4-methyl-6-prop-1-en-2-ylpyrido[2,3-d]pyrimidin-7-one is C=C(C)c1cc2c(C)nc(N)nc2n(CC)c1=O.
What is the InChIKey of 2-amino-8-ethyl-4-methyl-6-prop-1-en-2-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is SBKCHAURAHBVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-5-17-11-10(8(4)15-13(14)16-11)6-9(7(2)3)12(17)18/h6H,2,5H2,1,3-4H3,(H2,14,15,16).
What are the key properties of 2-amino-8-ethyl-4-methyl-6-prop-1-en-2-ylpyrido[2,3-d]pyrimidin-7-one?
2-amino-8-ethyl-4-methyl-6-prop-1-en-2-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 244.30 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-ethyl-4-methyl-6-prop-1-en-2-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 123671961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).