2-amino-6-(2-phenylethyl)-3H-pteridin-4-one

C14H13N5O — CID 135840208

IUPAC2-amino-6-(2-phenylethyl)-3H-pteridin-4-one
SMILESNc1nc2ncc(CCc3ccccc3)nc2c(=O)[nH]1
InChIInChI=1S/C14H13N5O/c15-14-18-12-11(13(20)19-14)17-10(8-16-12)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,15,16,18,19,20)
InChIKeyLIEYLSYRZWOFJK-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.08
Rot. Bonds3

About 2-amino-6-(2-phenylethyl)-3H-pteridin-4-one

2-amino-6-(2-phenylethyl)-3H-pteridin-4-one (PubChem CID 135840208) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-amino-6-(2-phenylethyl)-3H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-6-(2-phenylethyl)-3H-pteridin-4-one
PubChem CID135840208
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name2-amino-6-(2-phenylethyl)-3H-pteridin-4-one
SMILESNc1nc2ncc(CCc3ccccc3)nc2c(=O)[nH]1
InChIInChI=1S/C14H13N5O/c15-14-18-12-11(13(20)19-14)17-10(8-16-12)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,15,16,18,19,20)
InChIKeyLIEYLSYRZWOFJK-UHFFFAOYSA-N
XLogP1.08
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethyl]benzoate
CID 135692615
2-amino-6-(3-hydroxypropyl)-3H-pteridin-4-one
CID 137234292
2-amino-6-(2-phenylethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 136679439
2-amino-7-benzyl-3H-pteridin-4-one
CID 135822639
4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethyl]-N-propylbenzamide;bis(carbon dioxide)
CID 160888708
(2R)-2-[2-[4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethyl]phenyl]-2-oxoethyl]-5-(methylamino)-5-oxopentanoic acid
CID 157384366
4-[3-(2-amino-4-oxo-3H-pteridin-6-yl)propylamino]benzoic acid
CID 135481227
6-(2-amino-4-oxo-3H-pteridin-6-yl)-3-methylhexanoic acid
CID 158588014
2-amino-6-(hydroxymethyl)-3H-pteridin-4-one;phosphono dihydrogen phosphate
CID 135764586
2-amino-6-[(1-hydroxyethylamino)methyl]-3H-pteridin-4-one
CID 163537979
2-[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]phenyl]-2-oxoacetic acid
CID 136660568
methyl 4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethylsulfanyl]benzoate
CID 136502411

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-phenylethyl)-3H-pteridin-4-one?
The IUPAC name of 2-amino-6-(2-phenylethyl)-3H-pteridin-4-one (CID 135840208) is 2-amino-6-(2-phenylethyl)-3H-pteridin-4-one.
What is the SMILES notation for 2-amino-6-(2-phenylethyl)-3H-pteridin-4-one?
The canonical SMILES for 2-amino-6-(2-phenylethyl)-3H-pteridin-4-one is Nc1nc2ncc(CCc3ccccc3)nc2c(=O)[nH]1.
What is the InChIKey of 2-amino-6-(2-phenylethyl)-3H-pteridin-4-one?
The InChIKey is LIEYLSYRZWOFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c15-14-18-12-11(13(20)19-14)17-10(8-16-12)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,15,16,18,19,20).
What are the key properties of 2-amino-6-(2-phenylethyl)-3H-pteridin-4-one?
2-amino-6-(2-phenylethyl)-3H-pteridin-4-one has a molecular weight of 267.29 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-phenylethyl)-3H-pteridin-4-one is sourced from PubChem (CID 135840208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).