N-(3,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine

C23H27N5 — CID 112880969

IUPACN-(3,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine
SMILESCc1cc(C)cc(Nc2cc(N3CCN(C)CC3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C23H27N5/c1-17-13-18(2)15-20(14-17)24-21-16-22(28-11-9-27(3)10-12-28)26-23(25-21)19-7-5-4-6-8-19/h4-8,13-16H,9-12H2,1-3H3,(H,24,25,26)
InChIKeyFXPSNGIBIDPJQS-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.26
Rot. Bonds4

About N-(3,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine

N-(3,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine (PubChem CID 112880969) has the molecular formula C23H27N5 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine
PubChem CID112880969
Molecular FormulaC23H27N5
Molecular Weight373.50 g/mol
Exact Mass373.23
IUPAC NameN-(3,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine
SMILESCc1cc(C)cc(Nc2cc(N3CCN(C)CC3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C23H27N5/c1-17-13-18(2)15-20(14-17)24-21-16-22(28-11-9-27(3)10-12-28)26-23(25-21)19-7-5-4-6-8-19/h4-8,13-16H,9-12H2,1-3H3,(H,24,25,26)
InChIKeyFXPSNGIBIDPJQS-UHFFFAOYSA-N
XLogP4.26
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine
CID 112880967
3-[[6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112881001
N-(4-methylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880543
6-(4-methylpiperazin-1-yl)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 112880940
N-[(2-chlorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine
CID 112880933
N-[(4-methoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine
CID 112880936
1-[4-[(2-phenyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]ethanone
CID 112880138
4-[6-(2-methylanilino)-2-phenylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112881087
5-methyl-N-(2-phenyl-6-piperidin-1-ylpyrimidin-4-yl)-1,2-oxazol-3-amine
CID 112880152
6-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine
CID 112880607
6-morpholin-4-yl-2-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 112880558
2-[6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112880942

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine (CID 112880969) is N-(3,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine is Cc1cc(C)cc(Nc2cc(N3CCN(C)CC3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine?
The InChIKey is FXPSNGIBIDPJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5/c1-17-13-18(2)15-20(14-17)24-21-16-22(28-11-9-27(3)10-12-28)26-23(25-21)19-7-5-4-6-8-19/h4-8,13-16H,9-12H2,1-3H3,(H,24,25,26).
What are the key properties of N-(3,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine?
N-(3,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine has a molecular weight of 373.50 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 112880969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).