2-(3-amino-4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one

C10H8ClN3O2 — CID 82476781

IUPAC2-(3-amino-4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESNc1cc(-c2nc(O)cc(=O)[nH]2)ccc1Cl
InChIInChI=1S/C10H8ClN3O2/c11-6-2-1-5(3-7(6)12)10-13-8(15)4-9(16)14-10/h1-4H,12H2,(H2,13,14,15,16)
InChIKeyBMWFLVLMXOPFAV-UHFFFAOYSA-N
MW237.65 g/mol
LogP1.38
Rot. Bonds1

About 2-(3-amino-4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one

2-(3-amino-4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 82476781) has the molecular formula C10H8ClN3O2 and a molecular weight of 237.65 g/mol. Its IUPAC name is 2-(3-amino-4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-amino-4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID82476781
Molecular FormulaC10H8ClN3O2
Molecular Weight237.65 g/mol
Exact Mass237.03
IUPAC Name2-(3-amino-4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESNc1cc(-c2nc(O)cc(=O)[nH]2)ccc1Cl
InChIInChI=1S/C10H8ClN3O2/c11-6-2-1-5(3-7(6)12)10-13-8(15)4-9(16)14-10/h1-4H,12H2,(H2,13,14,15,16)
InChIKeyBMWFLVLMXOPFAV-UHFFFAOYSA-N
XLogP1.38
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-difluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 63613424
4,6-dichloro-2-(4-fluorophenyl)pyrimidine;2-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 160836213
4-hydroxy-2-(4-methylsulfanylphenyl)-1H-pyrimidin-6-one
CID 63612263
4-hydroxy-2-(4-prop-2-enylphenyl)-1H-pyrimidin-6-one
CID 67282370
2-(4-cyclohexylphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 67281704
2-(3-chloro-4-hydroxyphenyl)-4-ethyl-1H-pyrimidin-6-one
CID 135974715
2-chloro-5-(4,5-difluoro-1H-benzimidazol-2-yl)aniline
CID 112556458
2-chloro-5-(4-fluoro-1H-benzimidazol-2-yl)aniline
CID 54920023
2-chloro-5-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline
CID 79795619
2-chloro-5-(5-methyl-1H-imidazol-2-yl)aniline
CID 82470505
2-(5-bromofuran-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 63611922
2-(3,4-dihydroxyphenyl)-4-propyl-1H-pyrimidin-6-one
CID 136938589

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-amino-4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one (CID 82476781) is 2-(3-amino-4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-amino-4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-amino-4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one is Nc1cc(-c2nc(O)cc(=O)[nH]2)ccc1Cl.
What is the InChIKey of 2-(3-amino-4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is BMWFLVLMXOPFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2/c11-6-2-1-5(3-7(6)12)10-13-8(15)4-9(16)14-10/h1-4H,12H2,(H2,13,14,15,16).
What are the key properties of 2-(3-amino-4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(3-amino-4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 237.65 g/mol, XLogP of 1.38, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 82476781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).