N-cyclohexyl-4-[1-(2,4-dichlorophenyl)pyrazol-4-yl]pyrimidin-2-amine

C19H19Cl2N5 — CID 10110805

IUPACN-cyclohexyl-4-[1-(2,4-dichlorophenyl)pyrazol-4-yl]pyrimidin-2-amine
SMILESClc1ccc(-n2cc(-c3ccnc(NC4CCCCC4)n3)cn2)c(Cl)c1
InChIInChI=1S/C19H19Cl2N5/c20-14-6-7-18(16(21)10-14)26-12-13(11-23-26)17-8-9-22-19(25-17)24-15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,22,24,25)
InChIKeyUWDHJTVLJKBXOI-UHFFFAOYSA-N
MW388.30 g/mol
LogP5.38
Rot. Bonds4

About N-cyclohexyl-4-[1-(2,4-dichlorophenyl)pyrazol-4-yl]pyrimidin-2-amine

N-cyclohexyl-4-[1-(2,4-dichlorophenyl)pyrazol-4-yl]pyrimidin-2-amine (PubChem CID 10110805) has the molecular formula C19H19Cl2N5 and a molecular weight of 388.30 g/mol. Its IUPAC name is N-cyclohexyl-4-[1-(2,4-dichlorophenyl)pyrazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-[1-(2,4-dichlorophenyl)pyrazol-4-yl]pyrimidin-2-amine
PubChem CID10110805
Molecular FormulaC19H19Cl2N5
Molecular Weight388.30 g/mol
Exact Mass387.10
IUPAC NameN-cyclohexyl-4-[1-(2,4-dichlorophenyl)pyrazol-4-yl]pyrimidin-2-amine
SMILESClc1ccc(-n2cc(-c3ccnc(NC4CCCCC4)n3)cn2)c(Cl)c1
InChIInChI=1S/C19H19Cl2N5/c20-14-6-7-18(16(21)10-14)26-12-13(11-23-26)17-8-9-22-19(25-17)24-15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,22,24,25)
InChIKeyUWDHJTVLJKBXOI-UHFFFAOYSA-N
XLogP5.38
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.30
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-4-[1-(2,4-dichlorophenyl)pyrazol-4-yl]pyrimidin-2-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-(4-chlorophenyl)-N-piperidin-4-ylpyrimidin-2-amine
CID 54584009
4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide
CID 54580034
4-chloro-N-cyclohexylpyrimidin-2-amine
CID 87190061
N-cyclohexyl-4-[1-(2,4-difluorophenyl)-3-methylpyrazol-4-yl]pyrimidin-2-amine
CID 10177126
N-cyclopropyl-4-[4-(2,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 142732900
4-(4-chlorophenyl)-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]pyrimidin-2-amine
CID 54583005
2-(3-chlorophenyl)-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-7-amine
CID 10205592
4-(4-chlorophenyl)-N-cyclohexyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 44821955
N-cyclopentyl-4-pyridin-2-ylpyrimidin-2-amine
CID 14347203
cyclopentyl-[4-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone
CID 163305455
[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]piperidin-1-yl]-(3-fluorophenyl)methanone
CID 54583006
1-[(3-chloro-4-fluorophenyl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 158548426

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[1-(2,4-dichlorophenyl)pyrazol-4-yl]pyrimidin-2-amine?
The IUPAC name of N-cyclohexyl-4-[1-(2,4-dichlorophenyl)pyrazol-4-yl]pyrimidin-2-amine (CID 10110805) is N-cyclohexyl-4-[1-(2,4-dichlorophenyl)pyrazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-[1-(2,4-dichlorophenyl)pyrazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for N-cyclohexyl-4-[1-(2,4-dichlorophenyl)pyrazol-4-yl]pyrimidin-2-amine is Clc1ccc(-n2cc(-c3ccnc(NC4CCCCC4)n3)cn2)c(Cl)c1.
What is the InChIKey of N-cyclohexyl-4-[1-(2,4-dichlorophenyl)pyrazol-4-yl]pyrimidin-2-amine?
The InChIKey is UWDHJTVLJKBXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5/c20-14-6-7-18(16(21)10-14)26-12-13(11-23-26)17-8-9-22-19(25-17)24-15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,22,24,25).
What are the key properties of N-cyclohexyl-4-[1-(2,4-dichlorophenyl)pyrazol-4-yl]pyrimidin-2-amine?
N-cyclohexyl-4-[1-(2,4-dichlorophenyl)pyrazol-4-yl]pyrimidin-2-amine has a molecular weight of 388.30 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[1-(2,4-dichlorophenyl)pyrazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 10110805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).