6-chloro-N-(2-imidazol-1-yl-2-methylpropyl)-2-methylpyrimidin-4-amine

C12H16ClN5 — CID 126825524

IUPAC6-chloro-N-(2-imidazol-1-yl-2-methylpropyl)-2-methylpyrimidin-4-amine
SMILESCc1nc(Cl)cc(NCC(C)(C)n2ccnc2)n1
InChIInChI=1S/C12H16ClN5/c1-9-16-10(13)6-11(17-9)15-7-12(2,3)18-5-4-14-8-18/h4-6,8H,7H2,1-3H3,(H,15,16,17)
InChIKeyWGQCZPXLAXMOQM-UHFFFAOYSA-N
MW265.75 g/mol
LogP2.48
Rot. Bonds4

About 6-chloro-N-(2-imidazol-1-yl-2-methylpropyl)-2-methylpyrimidin-4-amine

6-chloro-N-(2-imidazol-1-yl-2-methylpropyl)-2-methylpyrimidin-4-amine (PubChem CID 126825524) has the molecular formula C12H16ClN5 and a molecular weight of 265.75 g/mol. Its IUPAC name is 6-chloro-N-(2-imidazol-1-yl-2-methylpropyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-imidazol-1-yl-2-methylpropyl)-2-methylpyrimidin-4-amine
PubChem CID126825524
Molecular FormulaC12H16ClN5
Molecular Weight265.75 g/mol
Exact Mass265.11
IUPAC Name6-chloro-N-(2-imidazol-1-yl-2-methylpropyl)-2-methylpyrimidin-4-amine
SMILESCc1nc(Cl)cc(NCC(C)(C)n2ccnc2)n1
InChIInChI=1S/C12H16ClN5/c1-9-16-10(13)6-11(17-9)15-7-12(2,3)18-5-4-14-8-18/h4-6,8H,7H2,1-3H3,(H,15,16,17)
InChIKeyWGQCZPXLAXMOQM-UHFFFAOYSA-N
XLogP2.48
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.75
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-N-(2-imidazol-1-yl-2-methylpropyl)-2-methylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyrimidin-2-amine
CID 59728203
1-[6-(4-Chloroimidazol-1-yl)pyrimidin-4-yl]-3-ethylthiourea
CID 134148296
(3R)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-amine
CID 118720438
4-Imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25130230
1-Ethyl-3-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]thiourea
CID 134138382
1-Ethyl-3-(6-imidazol-1-ylpyrimidin-4-yl)thiourea
CID 134150613
1-Ethyl-3-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)thiourea
CID 134151972
4,6-dichloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)pyrimidin-2-amine
CID 24945908
4-Chloro-6-(1H-imidazol-1-yl)pyrimidine
CID 2757612
4-chloro-2-(1H-imidazol-1-yl)pyrimidine
CID 10607483
1-Ethyl-3-[6-(2-ethylimidazol-1-yl)pyrimidin-4-yl]thiourea
CID 134156062
4-Chloro-6-(2-methyl-1H-imidazol-1-yl)pyrimidine
CID 26369835

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-imidazol-1-yl-2-methylpropyl)-2-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-imidazol-1-yl-2-methylpropyl)-2-methylpyrimidin-4-amine (CID 126825524) is 6-chloro-N-(2-imidazol-1-yl-2-methylpropyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-imidazol-1-yl-2-methylpropyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-imidazol-1-yl-2-methylpropyl)-2-methylpyrimidin-4-amine is Cc1nc(Cl)cc(NCC(C)(C)n2ccnc2)n1.
What is the InChIKey of 6-chloro-N-(2-imidazol-1-yl-2-methylpropyl)-2-methylpyrimidin-4-amine?
The InChIKey is WGQCZPXLAXMOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5/c1-9-16-10(13)6-11(17-9)15-7-12(2,3)18-5-4-14-8-18/h4-6,8H,7H2,1-3H3,(H,15,16,17).
What are the key properties of 6-chloro-N-(2-imidazol-1-yl-2-methylpropyl)-2-methylpyrimidin-4-amine?
6-chloro-N-(2-imidazol-1-yl-2-methylpropyl)-2-methylpyrimidin-4-amine has a molecular weight of 265.75 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-imidazol-1-yl-2-methylpropyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 126825524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).