2-amino-6-(2-phenylethyl)-3H-pyrido[2,3-d]pyrimidin-4-one

C15H14N4O — CID 136679439

IUPAC2-amino-6-(2-phenylethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESNc1nc2ncc(CCc3ccccc3)cc2c(=O)[nH]1
InChIInChI=1S/C15H14N4O/c16-15-18-13-12(14(20)19-15)8-11(9-17-13)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H3,16,17,18,19,20)
InChIKeyLFERZTJYFIUZJC-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.69
Rot. Bonds3

About 2-amino-6-(2-phenylethyl)-3H-pyrido[2,3-d]pyrimidin-4-one

2-amino-6-(2-phenylethyl)-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 136679439) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-amino-6-(2-phenylethyl)-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-(2-phenylethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID136679439
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-amino-6-(2-phenylethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESNc1nc2ncc(CCc3ccccc3)cc2c(=O)[nH]1
InChIInChI=1S/C15H14N4O/c16-15-18-13-12(14(20)19-15)8-11(9-17-13)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H3,16,17,18,19,20)
InChIKeyLFERZTJYFIUZJC-UHFFFAOYSA-N
XLogP1.69
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[2-(2-amino-4-oxo-3H-pyrido[2,3-d]pyrimidin-6-yl)ethyl]benzoate
CID 135577901
2-amino-6-(2-phenylethyl)-3H-pteridin-4-one
CID 135840208
2-amino-7-benzyl-3H-pteridin-4-one
CID 135822639
(2S)-2-[[4-[(2-amino-4-oxo-3H-pyrido[2,3-d]pyrimidin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
CID 135460994
2-amino-8-phenylmethoxy-1,7-dihydropurin-6-one;hydrochloride
CID 136934360
2-amino-9-ethyl-3H-pyrimido[4,5-b]quinolin-4-one
CID 136866367
6-benzyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 12028355
15-amino-14,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,10,12(17),15-heptaen-13-one
CID 135513803
5-(5-phenylpentyl)-1H-imidazol-2-amine
CID 46848173
2-amino-5-benzyl-4-methyl-1H-pyrimidin-6-one
CID 135469356
5-iodo-2-(2-phenylethyl)pyrimidin-4-amine
CID 66303498
ethyl 4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethyl]benzoate
CID 135692615

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-phenylethyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-(2-phenylethyl)-3H-pyrido[2,3-d]pyrimidin-4-one (CID 136679439) is 2-amino-6-(2-phenylethyl)-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-(2-phenylethyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-(2-phenylethyl)-3H-pyrido[2,3-d]pyrimidin-4-one is Nc1nc2ncc(CCc3ccccc3)cc2c(=O)[nH]1.
What is the InChIKey of 2-amino-6-(2-phenylethyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is LFERZTJYFIUZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c16-15-18-13-12(14(20)19-15)8-11(9-17-13)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H3,16,17,18,19,20).
What are the key properties of 2-amino-6-(2-phenylethyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
2-amino-6-(2-phenylethyl)-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 266.30 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-phenylethyl)-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 136679439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).