N-(2,3-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine

C21H24N6 — CID 112863304

IUPACN-(2,3-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1cccc(Nc2cc(N3CCN(c4ccccn4)CC3)ncn2)c1C
InChIInChI=1S/C21H24N6/c1-16-6-5-7-18(17(16)2)25-19-14-21(24-15-23-19)27-12-10-26(11-13-27)20-8-3-4-9-22-20/h3-9,14-15H,10-13H2,1-2H3,(H,23,24,25)
InChIKeyNZRJEASPBMLHPO-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.56
Rot. Bonds4

About N-(2,3-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine

N-(2,3-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112863304) has the molecular formula C21H24N6 and a molecular weight of 360.47 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112863304
Molecular FormulaC21H24N6
Molecular Weight360.47 g/mol
Exact Mass360.21
IUPAC NameN-(2,3-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1cccc(Nc2cc(N3CCN(c4ccccn4)CC3)ncn2)c1C
InChIInChI=1S/C21H24N6/c1-16-6-5-7-18(17(16)2)25-19-14-21(24-15-23-19)27-12-10-26(11-13-27)20-8-3-4-9-22-20/h3-9,14-15H,10-13H2,1-2H3,(H,23,24,25)
InChIKeyNZRJEASPBMLHPO-UHFFFAOYSA-N
XLogP3.56
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-pyridin-2-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112863311
N-(2-methyl-6-propan-2-ylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863312
N-(2,3-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109353119
5-methyl-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazol-3-amine
CID 112863359
2-methyl-N-(2-methylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112875520
4-[6-(2-methylanilino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858270
N-(3-chloro-2-methylphenyl)-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112875544
N-(4-ethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863306
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine
CID 112863083
6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine
CID 112864698
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112860583
N-cyclopentyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112855879

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(2,3-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine (CID 112863304) is N-(2,3-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(2,3-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(2,3-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine is Cc1cccc(Nc2cc(N3CCN(c4ccccn4)CC3)ncn2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is NZRJEASPBMLHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c1-16-6-5-7-18(17(16)2)25-19-14-21(24-15-23-19)27-12-10-26(11-13-27)20-8-3-4-9-22-20/h3-9,14-15H,10-13H2,1-2H3,(H,23,24,25).
What are the key properties of N-(2,3-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
N-(2,3-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 360.47 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112863304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).