[4-(2-chloroanilino)pyrimidin-5-yl]methanol

C11H10ClN3O — CID 28905233

IUPAC[4-(2-chloroanilino)pyrimidin-5-yl]methanol
SMILESOCc1cncnc1Nc1ccccc1Cl
InChIInChI=1S/C11H10ClN3O/c12-9-3-1-2-4-10(9)15-11-8(6-16)5-13-7-14-11/h1-5,7,16H,6H2,(H,13,14,15)
InChIKeyJNKRPXRTGBSBFQ-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.37
Rot. Bonds3

About [4-(2-chloroanilino)pyrimidin-5-yl]methanol

[4-(2-chloroanilino)pyrimidin-5-yl]methanol (PubChem CID 28905233) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is [4-(2-chloroanilino)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-(2-chloroanilino)pyrimidin-5-yl]methanol
PubChem CID28905233
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name[4-(2-chloroanilino)pyrimidin-5-yl]methanol
SMILESOCc1cncnc1Nc1ccccc1Cl
InChIInChI=1S/C11H10ClN3O/c12-9-3-1-2-4-10(9)15-11-8(6-16)5-13-7-14-11/h1-5,7,16H,6H2,(H,13,14,15)
InChIKeyJNKRPXRTGBSBFQ-UHFFFAOYSA-N
XLogP2.37
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,3-dichloroanilino)pyrimidin-5-yl]methanol
CID 28905263
4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,5,6-triamine
CID 19147893
[4-(benzylamino)pyrimidin-5-yl]methanol
CID 28905189
N-(2-chlorophenyl)pyrimidin-5-amine
CID 82536995
N-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine
CID 66341231
N-(2-chlorophenyl)pyrimidin-4-amine
CID 174441360
N-(2-chlorophenyl)-8-fluoroquinazolin-4-amine
CID 110434661
N-(2-chlorophenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80927802
4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,6-diamine
CID 112865738
5-bromo-2-chloro-N-(2-chlorophenyl)pyrimidin-4-amine
CID 79075649
N-(2-chlorophenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21009623
6-N-butyl-4-N-(2-chlorophenyl)pyrimidine-4,5,6-triamine
CID 19134851

Frequently Asked Questions

What is the IUPAC name of [4-(2-chloroanilino)pyrimidin-5-yl]methanol?
The IUPAC name of [4-(2-chloroanilino)pyrimidin-5-yl]methanol (CID 28905233) is [4-(2-chloroanilino)pyrimidin-5-yl]methanol.
What is the SMILES notation for [4-(2-chloroanilino)pyrimidin-5-yl]methanol?
The canonical SMILES for [4-(2-chloroanilino)pyrimidin-5-yl]methanol is OCc1cncnc1Nc1ccccc1Cl.
What is the InChIKey of [4-(2-chloroanilino)pyrimidin-5-yl]methanol?
The InChIKey is JNKRPXRTGBSBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c12-9-3-1-2-4-10(9)15-11-8(6-16)5-13-7-14-11/h1-5,7,16H,6H2,(H,13,14,15).
What are the key properties of [4-(2-chloroanilino)pyrimidin-5-yl]methanol?
[4-(2-chloroanilino)pyrimidin-5-yl]methanol has a molecular weight of 235.67 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloroanilino)pyrimidin-5-yl]methanol is sourced from PubChem (CID 28905233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).