N-(2,6-dimethylphenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine

C24H29N5 — CID 112923455

IUPACN-(2,6-dimethylphenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine
SMILESCc1cccc(N2CCN(c3cc(C)nc(Nc4c(C)cccc4C)n3)CC2)c1
InChIInChI=1S/C24H29N5/c1-17-7-5-10-21(15-17)28-11-13-29(14-12-28)22-16-20(4)25-24(26-22)27-23-18(2)8-6-9-19(23)3/h5-10,15-16H,11-14H2,1-4H3,(H,25,26,27)
InChIKeyVAZABPMHKHKYSF-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.78
Rot. Bonds4

About N-(2,6-dimethylphenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine

N-(2,6-dimethylphenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine (PubChem CID 112923455) has the molecular formula C24H29N5 and a molecular weight of 387.53 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine
PubChem CID112923455
Molecular FormulaC24H29N5
Molecular Weight387.53 g/mol
Exact Mass387.24
IUPAC NameN-(2,6-dimethylphenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine
SMILESCc1cccc(N2CCN(c3cc(C)nc(Nc4c(C)cccc4C)n3)CC2)c1
InChIInChI=1S/C24H29N5/c1-17-7-5-10-21(15-17)28-11-13-29(14-12-28)22-16-20(4)25-24(26-22)27-23-18(2)8-6-9-19(23)3/h5-10,15-16H,11-14H2,1-4H3,(H,25,26,27)
InChIKeyVAZABPMHKHKYSF-UHFFFAOYSA-N
XLogP4.78
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azepan-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine
CID 112926580
N-(3,4-difluorophenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112923475
2-chloro-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine
CID 62477783
4-(azepan-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-2-amine
CID 112926589
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine
CID 112923615
ethyl 4-[2-(2-ethyl-6-methylanilino)-6-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112923300
2-[[4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]amino]benzonitrile
CID 112922226
4-methyl-N-(2-methylphenyl)-6-morpholin-4-ylpyrimidin-2-amine
CID 112912131
N-(3-methylphenyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112957221
4-(2,3-dihydroindol-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine
CID 112927670
N-(2,5-dimethylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909317
N-(1,3-benzodioxol-5-yl)-4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 112922222

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of N-(2,6-dimethylphenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine (CID 112923455) is N-(2,6-dimethylphenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine is Cc1cccc(N2CCN(c3cc(C)nc(Nc4c(C)cccc4C)n3)CC2)c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is VAZABPMHKHKYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5/c1-17-7-5-10-21(15-17)28-11-13-29(14-12-28)22-16-20(4)25-24(26-22)27-23-18(2)8-6-9-19(23)3/h5-10,15-16H,11-14H2,1-4H3,(H,25,26,27).
What are the key properties of N-(2,6-dimethylphenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine?
N-(2,6-dimethylphenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 387.53 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 112923455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).