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

C23H22ClN5 — CID 144616801

IUPAC2-(3-chlorophenyl)-6-propyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidin-4-amine
SMILESCCCc1cc(Nc2ccc(Cn3cccn3)cc2)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C23H22ClN5/c1-2-5-21-15-22(28-23(27-21)18-6-3-7-19(24)14-18)26-20-10-8-17(9-11-20)16-29-13-4-12-25-29/h3-4,6-15H,2,5,16H2,1H3,(H,26,27,28)
InChIKeyGTFOUNPLNORQMV-UHFFFAOYSA-N
MW403.92 g/mol
LogP5.74
Rot. Bonds7

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

2-(3-chlorophenyl)-6-propyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidin-4-amine (PubChem CID 144616801) has the molecular formula C23H22ClN5 and a molecular weight of 403.92 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-6-propyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-6-propyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidin-4-amine
PubChem CID144616801
Molecular FormulaC23H22ClN5
Molecular Weight403.92 g/mol
Exact Mass403.16
IUPAC Name2-(3-chlorophenyl)-6-propyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidin-4-amine
SMILESCCCc1cc(Nc2ccc(Cn3cccn3)cc2)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C23H22ClN5/c1-2-5-21-15-22(28-23(27-21)18-6-3-7-19(24)14-18)26-20-10-8-17(9-11-20)16-29-13-4-12-25-29/h3-4,6-15H,2,5,16H2,1H3,(H,26,27,28)
InChIKeyGTFOUNPLNORQMV-UHFFFAOYSA-N
XLogP5.74
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.92
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]phenyl]-2-methylpropanamide
CID 90113055
2-(3-chlorophenyl)-4-piperazin-1-yl-6-propylpyrimidine
CID 56766929
2-(3-chlorophenyl)-4-methyl-6-[(4-propylphenyl)methyl]pyrimidine
CID 118600805
2-(3-chlorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 55062778
1-[2-(3-chlorophenyl)-6-propylpyrimidin-4-yl]-1,4-diazepane
CID 56767257
3-chloro-N'-[4-(pyrazol-1-ylmethyl)benzoyl]benzohydrazide
CID 17468530
(2-phenyl-6-propylpyrimidin-4-yl)hydrazine
CID 62252370
2-(3-chloro-4-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 63484860
N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine
CID 62190374
7-chloro-2-(3-chlorophenyl)-5-propylpyrazolo[1,5-a]pyrimidine
CID 82269954
N-methyl-6-propyl-2-pyridin-3-ylpyrimidin-4-amine
CID 62191790
6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine
CID 63485047

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-6-propyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-(3-chlorophenyl)-6-propyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidin-4-amine (CID 144616801) is 2-(3-chlorophenyl)-6-propyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-6-propyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-(3-chlorophenyl)-6-propyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidin-4-amine is CCCc1cc(Nc2ccc(Cn3cccn3)cc2)nc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-(3-chlorophenyl)-6-propyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidin-4-amine?
The InChIKey is GTFOUNPLNORQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5/c1-2-5-21-15-22(28-23(27-21)18-6-3-7-19(24)14-18)26-20-10-8-17(9-11-20)16-29-13-4-12-25-29/h3-4,6-15H,2,5,16H2,1H3,(H,26,27,28).
What are the key properties of 2-(3-chlorophenyl)-6-propyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidin-4-amine?
2-(3-chlorophenyl)-6-propyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidin-4-amine has a molecular weight of 403.92 g/mol, XLogP of 5.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-6-propyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 144616801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).