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

C23H27N5 — CID 112880967

IUPACN-(2,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine
SMILESCc1ccc(C)c(Nc2cc(N3CCN(C)CC3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C23H27N5/c1-17-9-10-18(2)20(15-17)24-21-16-22(28-13-11-27(3)12-14-28)26-23(25-21)19-7-5-4-6-8-19/h4-10,15-16H,11-14H2,1-3H3,(H,24,25,26)
InChIKeyIPHKJEPRNFMCAR-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.26
Rot. Bonds4

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

N-(2,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine (PubChem CID 112880967) has the molecular formula C23H27N5 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine
PubChem CID112880967
Molecular FormulaC23H27N5
Molecular Weight373.50 g/mol
Exact Mass373.23
IUPAC NameN-(2,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine
SMILESCc1ccc(C)c(Nc2cc(N3CCN(C)CC3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C23H27N5/c1-17-9-10-18(2)20(15-17)24-21-16-22(28-13-11-27(3)12-14-28)26-23(25-21)19-7-5-4-6-8-19/h4-10,15-16H,11-14H2,1-3H3,(H,24,25,26)
InChIKeyIPHKJEPRNFMCAR-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-(3,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine
CID 112880969
4-[6-(2-methylanilino)-2-phenylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112881087
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
6-morpholin-4-yl-2-phenyl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 112880557
N-[(2-chlorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine
CID 112880933
6-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidin-4-amine
CID 112880607
N-[(4-methoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine
CID 112880936
4-[6-(2-fluoroanilino)-2-phenylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112881102
5-methyl-N-(2-phenyl-6-piperidin-1-ylpyrimidin-4-yl)-1,2-oxazol-3-amine
CID 112880152
N-(2-ethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880553

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine?
The IUPAC name of N-(2,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine (CID 112880967) is N-(2,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine.
What is the SMILES notation for N-(2,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine?
The canonical SMILES for N-(2,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine is Cc1ccc(C)c(Nc2cc(N3CCN(C)CC3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine?
The InChIKey is IPHKJEPRNFMCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5/c1-17-9-10-18(2)20(15-17)24-21-16-22(28-13-11-27(3)12-14-28)26-23(25-21)19-7-5-4-6-8-19/h4-10,15-16H,11-14H2,1-3H3,(H,24,25,26).
What are the key properties of N-(2,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine?
N-(2,5-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-(2,5-dimethylphenyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 112880967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).