2-(naphthalen-2-ylamino)-1,7-dihydropurin-6-one

C15H11N5O — CID 135435088

IUPAC2-(naphthalen-2-ylamino)-1,7-dihydropurin-6-one
SMILESO=c1[nH]c(Nc2ccc3ccccc3c2)nc2nc[nH]c12
InChIInChI=1S/C15H11N5O/c21-14-12-13(17-8-16-12)19-15(20-14)18-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H3,16,17,18,19,20,21)
InChIKeyYUGNFZWBAPYCBO-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.54
Rot. Bonds2

About 2-(naphthalen-2-ylamino)-1,7-dihydropurin-6-one

2-(naphthalen-2-ylamino)-1,7-dihydropurin-6-one (PubChem CID 135435088) has the molecular formula C15H11N5O and a molecular weight of 277.29 g/mol. Its IUPAC name is 2-(naphthalen-2-ylamino)-1,7-dihydropurin-6-one.

Molecular Properties

Compound Name2-(naphthalen-2-ylamino)-1,7-dihydropurin-6-one
PubChem CID135435088
Molecular FormulaC15H11N5O
Molecular Weight277.29 g/mol
Exact Mass277.10
IUPAC Name2-(naphthalen-2-ylamino)-1,7-dihydropurin-6-one
SMILESO=c1[nH]c(Nc2ccc3ccccc3c2)nc2nc[nH]c12
InChIInChI=1S/C15H11N5O/c21-14-12-13(17-8-16-12)19-15(20-14)18-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H3,16,17,18,19,20,21)
InChIKeyYUGNFZWBAPYCBO-UHFFFAOYSA-N
XLogP2.54
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(quinolin-6-ylamino)-1,7-dihydropurin-6-one
CID 135998458
2-(3,5-dichloroanilino)-1,7-dihydropurin-6-one
CID 135410329
2-[(2-aminonaphthalen-1-yl)amino]-1,7-dihydropurin-6-one
CID 169449405
2-(trifluoromethylamino)-1,7-dihydropurin-6-one
CID 141084811
2-(methylamino)-1,7-dihydropurin-6-one;dihydrochloride
CID 174295728
N-(6-oxo-1,7-dihydropurin-2-yl)-2-phenylacetamide
CID 135734285
2-(fluoroamino)-1,7-dihydropurin-6-one;phosphono dihydrogen phosphate
CID 174593809
2-(methylamino)-1,7-dihydropurin-6-one;thiophene
CID 174493595
2-phenyl-1,7-dihydropurin-6-one
CID 135531822
2-[(6-oxo-1,7-dihydropurin-2-yl)amino]acetic acid
CID 135456846
3,3-dimethyl-N-(6-oxo-1,7-dihydropurin-2-yl)-2-phenoxybutanamide
CID 136951012
2-(naphthalen-2-ylamino)-4-propyl-1H-pyrimidin-6-one
CID 135667332

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylamino)-1,7-dihydropurin-6-one?
The IUPAC name of 2-(naphthalen-2-ylamino)-1,7-dihydropurin-6-one (CID 135435088) is 2-(naphthalen-2-ylamino)-1,7-dihydropurin-6-one.
What is the SMILES notation for 2-(naphthalen-2-ylamino)-1,7-dihydropurin-6-one?
The canonical SMILES for 2-(naphthalen-2-ylamino)-1,7-dihydropurin-6-one is O=c1[nH]c(Nc2ccc3ccccc3c2)nc2nc[nH]c12.
What is the InChIKey of 2-(naphthalen-2-ylamino)-1,7-dihydropurin-6-one?
The InChIKey is YUGNFZWBAPYCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O/c21-14-12-13(17-8-16-12)19-15(20-14)18-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H3,16,17,18,19,20,21).
What are the key properties of 2-(naphthalen-2-ylamino)-1,7-dihydropurin-6-one?
2-(naphthalen-2-ylamino)-1,7-dihydropurin-6-one has a molecular weight of 277.29 g/mol, XLogP of 2.54, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylamino)-1,7-dihydropurin-6-one is sourced from PubChem (CID 135435088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).