(2-aminopyrimidin-5-yl)-(5-chloro-2-hydroxy-4-methylphenyl)methanone

C12H10ClN3O2 — CID 13333122

IUPAC(2-aminopyrimidin-5-yl)-(5-chloro-2-hydroxy-4-methylphenyl)methanone
SMILESCc1cc(O)c(C(=O)c2cnc(N)nc2)cc1Cl
InChIInChI=1S/C12H10ClN3O2/c1-6-2-10(17)8(3-9(6)13)11(18)7-4-15-12(14)16-5-7/h2-5,17H,1H3,(H2,14,15,16)
InChIKeyVMICDQPTQMARCR-UHFFFAOYSA-N
MW263.68 g/mol
LogP1.96
Rot. Bonds2

About (2-aminopyrimidin-5-yl)-(5-chloro-2-hydroxy-4-methylphenyl)methanone

(2-aminopyrimidin-5-yl)-(5-chloro-2-hydroxy-4-methylphenyl)methanone (PubChem CID 13333122) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is (2-aminopyrimidin-5-yl)-(5-chloro-2-hydroxy-4-methylphenyl)methanone.

Molecular Properties

Compound Name(2-aminopyrimidin-5-yl)-(5-chloro-2-hydroxy-4-methylphenyl)methanone
PubChem CID13333122
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name(2-aminopyrimidin-5-yl)-(5-chloro-2-hydroxy-4-methylphenyl)methanone
SMILESCc1cc(O)c(C(=O)c2cnc(N)nc2)cc1Cl
InChIInChI=1S/C12H10ClN3O2/c1-6-2-10(17)8(3-9(6)13)11(18)7-4-15-12(14)16-5-7/h2-5,17H,1H3,(H2,14,15,16)
InChIKeyVMICDQPTQMARCR-UHFFFAOYSA-N
XLogP1.96
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-(5-chloro-2-hydroxy-4-methylphenyl)ethanone
CID 84669092
4-chloro-5-methylbenzene-1,2-diol
CID 23510503
(4-amino-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanone
CID 82787494
bis(5-chloro-2,4-dihydroxyphenyl)methanone
CID 101362885
5-chloro-2,4-dimethylbenzamide
CID 82551019
(E)-1-(5-chloro-2-hydroxy-4-methylphenyl)-3-(dimethylamino)prop-2-en-1-one
CID 171617110
2-(5-chloro-4-hydroxy-2-methylphenyl)-2-oxoacetic acid
CID 117305831
5,6-dichloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-3-carboxamide
CID 106834615
2-aminopyrimidine-5-carboxylic acid
CID 7020367
ethyl 2-(5-chloro-4-hydroxy-2-methylphenyl)-2-oxoacetate
CID 117358575
(2-bromo-5-chloro-4-methylphenyl)-(4-methylphenyl)methanone
CID 134514338
(3-chloro-4-methylphenyl)-(6-methyl-3-pyridinyl)methanone
CID 114971606

Frequently Asked Questions

What is the IUPAC name of (2-aminopyrimidin-5-yl)-(5-chloro-2-hydroxy-4-methylphenyl)methanone?
The IUPAC name of (2-aminopyrimidin-5-yl)-(5-chloro-2-hydroxy-4-methylphenyl)methanone (CID 13333122) is (2-aminopyrimidin-5-yl)-(5-chloro-2-hydroxy-4-methylphenyl)methanone.
What is the SMILES notation for (2-aminopyrimidin-5-yl)-(5-chloro-2-hydroxy-4-methylphenyl)methanone?
The canonical SMILES for (2-aminopyrimidin-5-yl)-(5-chloro-2-hydroxy-4-methylphenyl)methanone is Cc1cc(O)c(C(=O)c2cnc(N)nc2)cc1Cl.
What is the InChIKey of (2-aminopyrimidin-5-yl)-(5-chloro-2-hydroxy-4-methylphenyl)methanone?
The InChIKey is VMICDQPTQMARCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c1-6-2-10(17)8(3-9(6)13)11(18)7-4-15-12(14)16-5-7/h2-5,17H,1H3,(H2,14,15,16).
What are the key properties of (2-aminopyrimidin-5-yl)-(5-chloro-2-hydroxy-4-methylphenyl)methanone?
(2-aminopyrimidin-5-yl)-(5-chloro-2-hydroxy-4-methylphenyl)methanone has a molecular weight of 263.68 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminopyrimidin-5-yl)-(5-chloro-2-hydroxy-4-methylphenyl)methanone is sourced from PubChem (CID 13333122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).