N-(2-propan-2-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine

C21H25N7 — CID 112899006

IUPACN-(2-propan-2-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCC(C)c1ccccc1Nc1ccnc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C21H25N7/c1-16(2)17-6-3-4-7-18(17)25-19-8-11-24-21(26-19)28-14-12-27(13-15-28)20-22-9-5-10-23-20/h3-11,16H,12-15H2,1-2H3,(H,24,25,26)
InChIKeyZBXJFTGPLWUCFV-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.46
Rot. Bonds5

About N-(2-propan-2-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine

N-(2-propan-2-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112899006) has the molecular formula C21H25N7 and a molecular weight of 375.48 g/mol. Its IUPAC name is N-(2-propan-2-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-propan-2-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112899006
Molecular FormulaC21H25N7
Molecular Weight375.48 g/mol
Exact Mass375.22
IUPAC NameN-(2-propan-2-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCC(C)c1ccccc1Nc1ccnc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C21H25N7/c1-16(2)17-6-3-4-7-18(17)25-19-8-11-24-21(26-19)28-14-12-27(13-15-28)20-22-9-5-10-23-20/h3-11,16H,12-15H2,1-2H3,(H,24,25,26)
InChIKeyZBXJFTGPLWUCFV-UHFFFAOYSA-N
XLogP3.46
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-methyl-N-(2-propan-2-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112924042
N-(2-fluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112899013
N-[2,6-di(propan-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112888177
6-methyl-2-(4-methylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 112914037
N-(2-ethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112898840
2-hydrazinyl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 80920603
N-(2-ethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896496
N-(2-tert-butylphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112884073
N-(2-ethoxyphenyl)-2-piperidin-1-ylpyrimidin-4-amine
CID 112884703
2-morpholin-4-yl-N-(2-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 112886621
N-(2,6-diethylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112899009
N-(2-tert-butylphenyl)-2-piperidin-1-ylpyrimidin-4-amine
CID 112884701

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(2-propan-2-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine (CID 112899006) is N-(2-propan-2-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(2-propan-2-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(2-propan-2-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine is CC(C)c1ccccc1Nc1ccnc(N2CCN(c3ncccn3)CC2)n1.
What is the InChIKey of N-(2-propan-2-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is ZBXJFTGPLWUCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7/c1-16(2)17-6-3-4-7-18(17)25-19-8-11-24-21(26-19)28-14-12-27(13-15-28)20-22-9-5-10-23-20/h3-11,16H,12-15H2,1-2H3,(H,24,25,26).
What are the key properties of N-(2-propan-2-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
N-(2-propan-2-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 375.48 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112899006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).