2-amino-7-(2-phenylethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

C15H17N3O2 — CID 136606582

IUPAC2-amino-7-(2-phenylethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESNc1nc2c(c(=O)[nH]1)COC(CCc1ccccc1)C2
InChIInChI=1S/C15H17N3O2/c16-15-17-13-8-11(20-9-12(13)14(19)18-15)7-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H3,16,17,18,19)
InChIKeyUMBVAQFXNXBQMA-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.43
Rot. Bonds3

About 2-amino-7-(2-phenylethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

2-amino-7-(2-phenylethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (PubChem CID 136606582) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-amino-7-(2-phenylethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-(2-phenylethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
PubChem CID136606582
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-amino-7-(2-phenylethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESNc1nc2c(c(=O)[nH]1)COC(CCc1ccccc1)C2
InChIInChI=1S/C15H17N3O2/c16-15-17-13-8-11(20-9-12(13)14(19)18-15)7-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H3,16,17,18,19)
InChIKeyUMBVAQFXNXBQMA-UHFFFAOYSA-N
XLogP1.43
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-benzyl-4-methyl-1H-pyrimidin-6-one
CID 135469356
(6S)-2-amino-6-[2-(4-bromophenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135470396
2-amino-6-phenyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 135432076
2-amino-7-ethyl-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136927073
2-(2-phenylethyl)oxetane
CID 13354102
(6R)-2-amino-6-[2-(4-tert-butylphenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 166563301
(6R)-2-amino-6-[2-(4-propan-2-ylphenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 167287833
2-amino-6-phenyl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 137222916
2-amino-6-(2-phenylethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 136679439
5-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 175040461
(2R)-2-(2-phenylethyl)-2,3-dihydropyran-4-one
CID 11171675
(2S,5S)-2,5-bis(2-phenylethyl)oxolane
CID 11108749

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(2-phenylethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-(2-phenylethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (CID 136606582) is 2-amino-7-(2-phenylethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-(2-phenylethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-(2-phenylethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is Nc1nc2c(c(=O)[nH]1)COC(CCc1ccccc1)C2.
What is the InChIKey of 2-amino-7-(2-phenylethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The InChIKey is UMBVAQFXNXBQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c16-15-17-13-8-11(20-9-12(13)14(19)18-15)7-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H3,16,17,18,19).
What are the key properties of 2-amino-7-(2-phenylethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
2-amino-7-(2-phenylethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one has a molecular weight of 271.32 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(2-phenylethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136606582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).