2-(2,3-dihydro-1H-inden-5-ylamino)-4-hydroxy-1H-pyrimidin-6-one

C13H13N3O2 — CID 139976142

IUPAC2-(2,3-dihydro-1H-inden-5-ylamino)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(Nc2ccc3c(c2)CCC3)[nH]1
InChIInChI=1S/C13H13N3O2/c17-11-7-12(18)16-13(15-11)14-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H3,14,15,16,17,18)
InChIKeyWBZNOMFWNAJLAQ-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.71
Rot. Bonds2

About 2-(2,3-dihydro-1H-inden-5-ylamino)-4-hydroxy-1H-pyrimidin-6-one

2-(2,3-dihydro-1H-inden-5-ylamino)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 139976142) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylamino)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylamino)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID139976142
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylamino)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(Nc2ccc3c(c2)CCC3)[nH]1
InChIInChI=1S/C13H13N3O2/c17-11-7-12(18)16-13(15-11)14-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H3,14,15,16,17,18)
InChIKeyWBZNOMFWNAJLAQ-UHFFFAOYSA-N
XLogP1.71
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-fluoroanilino)-4-hydroxy-1H-pyrimidin-6-one
CID 139976467
4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzamide
CID 158659677
4-[(4-hydroxy-6-oxo-(4,5,6-13C3)1H-pyrimidin-2-yl)amino]benzonitrile
CID 71316163
3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-N,N-dimethylbenzenesulfonamide
CID 139976080
5-(2,3-dihydro-1H-inden-5-ylamino)-1H-1,8-naphthyridin-2-one
CID 175746708
4-hydroxy-2-[3-(1,1,2,2-tetrafluoroethoxy)anilino]-1H-pyrimidin-6-one
CID 139976279
4,6-dichloro-N-(2,3-dihydro-1H-inden-5-yl)-1,3,5-triazin-2-amine
CID 60725987
2-[(2Z)-2-(2,3-dihydro-1H-inden-5-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 136690088
4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-amine
CID 83152566
N-hexyl-4-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-N-methylbenzamide
CID 139976389
6-(2,3-dihydro-1H-inden-5-ylamino)pyrazine-2-carboxylic acid
CID 66458124
2-(4-hydroxyanilino)-4-phenyl-1H-pyrimidin-6-one
CID 135460740

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylamino)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylamino)-4-hydroxy-1H-pyrimidin-6-one (CID 139976142) is 2-(2,3-dihydro-1H-inden-5-ylamino)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylamino)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylamino)-4-hydroxy-1H-pyrimidin-6-one is O=c1cc(O)nc(Nc2ccc3c(c2)CCC3)[nH]1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylamino)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is WBZNOMFWNAJLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c17-11-7-12(18)16-13(15-11)14-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H3,14,15,16,17,18).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylamino)-4-hydroxy-1H-pyrimidin-6-one?
2-(2,3-dihydro-1H-inden-5-ylamino)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 243.27 g/mol, XLogP of 1.71, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylamino)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 139976142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).