2-(3-chlorophenyl)-6-ethyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidin-4-amine

C22H20ClN5 — CID 90110601

IUPAC2-(3-chlorophenyl)-6-ethyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidin-4-amine
SMILESCCc1cc(Nc2ccc(Cn3cccn3)cc2)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C22H20ClN5/c1-2-19-14-21(27-22(26-19)17-5-3-6-18(23)13-17)25-20-9-7-16(8-10-20)15-28-12-4-11-24-28/h3-14H,2,15H2,1H3,(H,25,26,27)
InChIKeyFVYVQRISKVUEHX-UHFFFAOYSA-N
MW389.89 g/mol
LogP5.35
Rot. Bonds6

About 2-(3-chlorophenyl)-6-ethyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidin-4-amine

2-(3-chlorophenyl)-6-ethyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidin-4-amine (PubChem CID 90110601) has the molecular formula C22H20ClN5 and a molecular weight of 389.89 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-6-ethyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-6-ethyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidin-4-amine
PubChem CID90110601
Molecular FormulaC22H20ClN5
Molecular Weight389.89 g/mol
Exact Mass389.14
IUPAC Name2-(3-chlorophenyl)-6-ethyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidin-4-amine
SMILESCCc1cc(Nc2ccc(Cn3cccn3)cc2)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C22H20ClN5/c1-2-19-14-21(27-22(26-19)17-5-3-6-18(23)13-17)25-20-9-7-16(8-10-20)15-28-12-4-11-24-28/h3-14H,2,15H2,1H3,(H,25,26,27)
InChIKeyFVYVQRISKVUEHX-UHFFFAOYSA-N
XLogP5.35
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.89
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-chlorophenyl)-6-ethyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidin-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

2-(4-Chlorobenzylamino)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
CID 24779676
4-Chloranyl-6-[1,5-dimethyl-4-(phenylmethyl)pyrazol-3-yl]pyrimidin-2-amine
CID 156612922
Pyrazolo[1,5-b]pyridazine deriv. 36
CID 6539378
1-Tert-Butyl-3-[(3-Chlorophenyl)methyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 59633494
5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 21066087
4-N,6-N-bis(3-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 223753
3-(4-aminophenyl)-N-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 5327846
2,4-Disubstituted Pyrimidine 2i
CID 5329422
4-[3-(3-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329463
Pyrazine-Pyridine Biheteroaryl 57
CID 5330391
Pyrazine-Pyridine Biheteroaryl 58
CID 5330392
4-(2-(4-Chlorophenyl)pyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine
CID 6539424

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-6-ethyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-(3-chlorophenyl)-6-ethyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidin-4-amine (CID 90110601) is 2-(3-chlorophenyl)-6-ethyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-6-ethyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-(3-chlorophenyl)-6-ethyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidin-4-amine is CCc1cc(Nc2ccc(Cn3cccn3)cc2)nc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-(3-chlorophenyl)-6-ethyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidin-4-amine?
The InChIKey is FVYVQRISKVUEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5/c1-2-19-14-21(27-22(26-19)17-5-3-6-18(23)13-17)25-20-9-7-16(8-10-20)15-28-12-4-11-24-28/h3-14H,2,15H2,1H3,(H,25,26,27).
What are the key properties of 2-(3-chlorophenyl)-6-ethyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidin-4-amine?
2-(3-chlorophenyl)-6-ethyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidin-4-amine has a molecular weight of 389.89 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-6-ethyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 90110601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).