N-[2,6-di(propan-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine

C21H31N5 — CID 112888177

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCC(C)c1cccc(C(C)C)c1Nc1ccnc(N2CCN(C)CC2)n1
InChIInChI=1S/C21H31N5/c1-15(2)17-7-6-8-18(16(3)4)20(17)23-19-9-10-22-21(24-19)26-13-11-25(5)12-14-26/h6-10,15-16H,11-14H2,1-5H3,(H,22,23,24)
InChIKeyZKEWJVLNSNINLM-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.22
Rot. Bonds5

About N-[2,6-di(propan-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine

N-[2,6-di(propan-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112888177) has the molecular formula C21H31N5 and a molecular weight of 353.51 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112888177
Molecular FormulaC21H31N5
Molecular Weight353.51 g/mol
Exact Mass353.26
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCC(C)c1cccc(C(C)C)c1Nc1ccnc(N2CCN(C)CC2)n1
InChIInChI=1S/C21H31N5/c1-15(2)17-7-6-8-18(16(3)4)20(17)23-19-9-10-22-21(24-19)26-13-11-25(5)12-14-26/h6-10,15-16H,11-14H2,1-5H3,(H,22,23,24)
InChIKeyZKEWJVLNSNINLM-UHFFFAOYSA-N
XLogP4.22
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-propan-2-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112899006
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112884090
2-(4-methylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 112888158
N-(2,6-diethylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112899009
3-(azepan-1-yl)-N-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazin-5-amine
CID 112961435
N-(2,6-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112898838
2-(4-phenylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine
CID 112882012
2-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine
CID 112888173
4-N-[2,6-di(propan-2-yl)phenyl]-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887559
2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyrimidin-4-amine
CID 46891062
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine
CID 15132532
6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 112914037

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine (CID 112888177) is N-[2,6-di(propan-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine is CC(C)c1cccc(C(C)C)c1Nc1ccnc(N2CCN(C)CC2)n1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is ZKEWJVLNSNINLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5/c1-15(2)17-7-6-8-18(16(3)4)20(17)23-19-9-10-22-21(24-19)26-13-11-25(5)12-14-26/h6-10,15-16H,11-14H2,1-5H3,(H,22,23,24).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
N-[2,6-di(propan-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 353.51 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112888177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).