4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine

C22H32N6 — CID 19140378

IUPAC4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
SMILESCc1cccc(N2CCN(c3ncnc(N4CCC(C)CC4)c3N)CC2)c1C
InChIInChI=1S/C22H32N6/c1-16-7-9-27(10-8-16)21-20(23)22(25-15-24-21)28-13-11-26(12-14-28)19-6-4-5-17(2)18(19)3/h4-6,15-16H,7-14,23H2,1-3H3
InChIKeyKPEADFGLEOCSMS-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.24
Rot. Bonds3

About 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine

4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine (PubChem CID 19140378) has the molecular formula C22H32N6 and a molecular weight of 380.54 g/mol. Its IUPAC name is 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
PubChem CID19140378
Molecular FormulaC22H32N6
Molecular Weight380.54 g/mol
Exact Mass380.27
IUPAC Name4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
SMILESCc1cccc(N2CCN(c3ncnc(N4CCC(C)CC4)c3N)CC2)c1C
InChIInChI=1S/C22H32N6/c1-16-7-9-27(10-8-16)21-20(23)22(25-15-24-21)28-13-11-26(12-14-28)19-6-4-5-17(2)18(19)3/h4-6,15-16H,7-14,23H2,1-3H3
InChIKeyKPEADFGLEOCSMS-UHFFFAOYSA-N
XLogP3.24
TPSA61.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-tert-butyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 22540364
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-phenylsulfanylpyrimidin-5-amine
CID 19149748
4-(2,3-dihydroindol-1-yl)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
CID 22543189
4-N,4-N-dibenzyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19136465
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine
CID 19142003
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine
CID 19147620
4-N-(3,4-dichlorophenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 22546918
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 22539422
4-N-(2,4-dichlorophenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19149844
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine
CID 19153551
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine
CID 19142625
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
CID 19150032

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine?
The IUPAC name of 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine (CID 19140378) is 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine.
What is the SMILES notation for 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine?
The canonical SMILES for 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine is Cc1cccc(N2CCN(c3ncnc(N4CCC(C)CC4)c3N)CC2)c1C.
What is the InChIKey of 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine?
The InChIKey is KPEADFGLEOCSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6/c1-16-7-9-27(10-8-16)21-20(23)22(25-15-24-21)28-13-11-26(12-14-28)19-6-4-5-17(2)18(19)3/h4-6,15-16H,7-14,23H2,1-3H3.
What are the key properties of 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine?
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine has a molecular weight of 380.54 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 19140378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).