5-(4-chlorophenyl)-N,N-dimethyl-4-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-2-amine

C21H25ClN6 — CID 110266191

IUPAC5-(4-chlorophenyl)-N,N-dimethyl-4-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-2-amine
SMILESCN(C)c1ncc(-c2ccc(Cl)cc2)c(C2CCCN2Cc2cnn(C)c2)n1
InChIInChI=1S/C21H25ClN6/c1-26(2)21-23-12-18(16-6-8-17(22)9-7-16)20(25-21)19-5-4-10-28(19)14-15-11-24-27(3)13-15/h6-9,11-13,19H,4-5,10,14H2,1-3H3
InChIKeyWYLYZYXJSPTEMW-UHFFFAOYSA-N
MW396.93 g/mol
LogP3.93
Rot. Bonds5

About 5-(4-chlorophenyl)-N,N-dimethyl-4-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-2-amine

5-(4-chlorophenyl)-N,N-dimethyl-4-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-2-amine (PubChem CID 110266191) has the molecular formula C21H25ClN6 and a molecular weight of 396.93 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N,N-dimethyl-4-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N,N-dimethyl-4-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-2-amine
PubChem CID110266191
Molecular FormulaC21H25ClN6
Molecular Weight396.93 g/mol
Exact Mass396.18
IUPAC Name5-(4-chlorophenyl)-N,N-dimethyl-4-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-2-amine
SMILESCN(C)c1ncc(-c2ccc(Cl)cc2)c(C2CCCN2Cc2cnn(C)c2)n1
InChIInChI=1S/C21H25ClN6/c1-26(2)21-23-12-18(16-6-8-17(22)9-7-16)20(25-21)19-5-4-10-28(19)14-15-11-24-27(3)13-15/h6-9,11-13,19H,4-5,10,14H2,1-3H3
InChIKeyWYLYZYXJSPTEMW-UHFFFAOYSA-N
XLogP3.93
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.93
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-chlorophenyl)-4-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N,N-dimethylpyrimidin-2-amine
CID 110266137
4-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-2-yl]-5-(4-fluorophenyl)-N,N-dimethylpyrimidin-2-amine
CID 110266401
4-[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N,N-dimethyl-5-phenylpyrimidin-2-amine
CID 92616640
5-(4-chlorophenyl)-4-[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine
CID 92617678
5-(3-chlorophenyl)-N,N-dimethyl-4-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 92617455
[(2R)-2-[5-(4-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 92616095
4-[(2S)-1-benzylpyrrolidin-2-yl]-5-(3-fluorophenyl)-N,N-dimethylpyrimidin-2-amine
CID 95836542
4-[4-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide
CID 92616635
5-(4-chlorophenyl)-4-[1-[(2-ethylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]pyrimidin-2-amine
CID 110253193
1-[(2R)-2-[5-(4-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 92616091
N-[2-[2-[5-(4-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 110266185
4-[2-(dimethylamino)-4-[(2R)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]pyrimidin-5-yl]benzamide
CID 92616642

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N,N-dimethyl-4-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-N,N-dimethyl-4-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-2-amine (CID 110266191) is 5-(4-chlorophenyl)-N,N-dimethyl-4-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N,N-dimethyl-4-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N,N-dimethyl-4-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-2-amine is CN(C)c1ncc(-c2ccc(Cl)cc2)c(C2CCCN2Cc2cnn(C)c2)n1.
What is the InChIKey of 5-(4-chlorophenyl)-N,N-dimethyl-4-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-2-amine?
The InChIKey is WYLYZYXJSPTEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN6/c1-26(2)21-23-12-18(16-6-8-17(22)9-7-16)20(25-21)19-5-4-10-28(19)14-15-11-24-27(3)13-15/h6-9,11-13,19H,4-5,10,14H2,1-3H3.
What are the key properties of 5-(4-chlorophenyl)-N,N-dimethyl-4-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-2-amine?
5-(4-chlorophenyl)-N,N-dimethyl-4-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-2-amine has a molecular weight of 396.93 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N,N-dimethyl-4-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 110266191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).