2-chloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2,4-dichloropyrimidine;5-methyl-1H-pyrazol-3-amine

C16H17Cl3N10 — CID 158695415

IUPAC2-chloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2,4-dichloropyrimidine;5-methyl-1H-pyrazol-3-amine
SMILESCc1cc(N)n[nH]1.Cc1cc(Nc2ccnc(Cl)n2)n[nH]1.Clc1ccnc(Cl)n1
InChIInChI=1S/C8H8ClN5.C4H2Cl2N2.C4H7N3/c1-5-4-7(14-13-5)11-6-2-3-10-8(9)12-6;5-3-1-2-7-4(6)8-3;1-3-2-4(5)7-6-3/h2-4H,1H3,(H2,10,11,12,13,14);1-2H;2H,1H3,(H3,5,6,7)
InChIKeyIGWLWGDFZQISLR-UHFFFAOYSA-N
MW455.74 g/mol
LogP3.99
Rot. Bonds2

About 2-chloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2,4-dichloropyrimidine;5-methyl-1H-pyrazol-3-amine

2-chloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2,4-dichloropyrimidine;5-methyl-1H-pyrazol-3-amine (PubChem CID 158695415) has the molecular formula C16H17Cl3N10 and a molecular weight of 455.74 g/mol. Its IUPAC name is 2-chloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2,4-dichloropyrimidine;5-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name2-chloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2,4-dichloropyrimidine;5-methyl-1H-pyrazol-3-amine
PubChem CID158695415
Molecular FormulaC16H17Cl3N10
Molecular Weight455.74 g/mol
Exact Mass454.07
IUPAC Name2-chloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2,4-dichloropyrimidine;5-methyl-1H-pyrazol-3-amine
SMILESCc1cc(N)n[nH]1.Cc1cc(Nc2ccnc(Cl)n2)n[nH]1.Clc1ccnc(Cl)n1
InChIInChI=1S/C8H8ClN5.C4H2Cl2N2.C4H7N3/c1-5-4-7(14-13-5)11-6-2-3-10-8(9)12-6;5-3-1-2-7-4(6)8-3;1-3-2-4(5)7-6-3/h2-4H,1H3,(H2,10,11,12,13,14);1-2H;2H,1H3,(H3,5,6,7)
InChIKeyIGWLWGDFZQISLR-UHFFFAOYSA-N
XLogP3.99
TPSA146.97 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.74
LogP ≤ 53.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-chloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2,4-dichloropyrimidine;5-methyl-1H-pyrazol-3-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

Azd-1480
CID 16659841
5-chloro-N2-(1-(5-fluoropyrimidin-2-yl)ethyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 46861588
5-chloro-2-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 53324514
2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-pyrimidin-2-ylpyrimidin-4-amine
CID 72945320
2-N-butyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 166626399
2-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 166633170
2,5-Dichloro-N-(5-methyl-1H-pyrazol-3-yl)-4-pyrimidinamine
CID 11402272
N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 69506946
6-chloro-4-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 25104389
2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
CID 25176921
6-Chloro-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 50993803
6-chloro-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 88850918

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2,4-dichloropyrimidine;5-methyl-1H-pyrazol-3-amine?
The IUPAC name of 2-chloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2,4-dichloropyrimidine;5-methyl-1H-pyrazol-3-amine (CID 158695415) is 2-chloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2,4-dichloropyrimidine;5-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 2-chloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2,4-dichloropyrimidine;5-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 2-chloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2,4-dichloropyrimidine;5-methyl-1H-pyrazol-3-amine is Cc1cc(N)n[nH]1.Cc1cc(Nc2ccnc(Cl)n2)n[nH]1.Clc1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2,4-dichloropyrimidine;5-methyl-1H-pyrazol-3-amine?
The InChIKey is IGWLWGDFZQISLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5.C4H2Cl2N2.C4H7N3/c1-5-4-7(14-13-5)11-6-2-3-10-8(9)12-6;5-3-1-2-7-4(6)8-3;1-3-2-4(5)7-6-3/h2-4H,1H3,(H2,10,11,12,13,14);1-2H;2H,1H3,(H3,5,6,7).
What are the key properties of 2-chloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2,4-dichloropyrimidine;5-methyl-1H-pyrazol-3-amine?
2-chloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2,4-dichloropyrimidine;5-methyl-1H-pyrazol-3-amine has a molecular weight of 455.74 g/mol, XLogP of 3.99, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2,4-dichloropyrimidine;5-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 158695415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).