2-methyl-N-(2-phenylethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine

C21H25N7 — CID 112873704

IUPAC2-methyl-N-(2-phenylethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1nc(NCCc2ccccc2)cc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C21H25N7/c1-17-25-19(22-11-8-18-6-3-2-4-7-18)16-20(26-17)27-12-14-28(15-13-27)21-23-9-5-10-24-21/h2-7,9-10,16H,8,11-15H2,1H3,(H,22,25,26)
InChIKeyIBCGTKUYJWZPFM-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.56
Rot. Bonds6

About 2-methyl-N-(2-phenylethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine

2-methyl-N-(2-phenylethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112873704) has the molecular formula C21H25N7 and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-methyl-N-(2-phenylethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(2-phenylethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112873704
Molecular FormulaC21H25N7
Molecular Weight375.48 g/mol
Exact Mass375.22
IUPAC Name2-methyl-N-(2-phenylethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1nc(NCCc2ccccc2)cc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C21H25N7/c1-17-25-19(22-11-8-18-6-3-2-4-7-18)16-20(26-17)27-12-14-28(15-13-27)21-23-9-5-10-24-21/h2-7,9-10,16H,8,11-15H2,1H3,(H,22,25,26)
InChIKeyIBCGTKUYJWZPFM-UHFFFAOYSA-N
XLogP2.56
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-N-(2-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112873690
6-methyl-N-(2-phenylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112920054
N-benzyl-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112871532
furan-2-yl-[4-[2-methyl-6-(2-phenylethylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 112873702
N-tert-butyl-2-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112875572
2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyrimidin-4-amine
CID 46891062
N-benzyl-N,2-dimethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112872203
N-(2-phenylethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112952966
N-cyclopentyl-2-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112868660
N-[2-(4-chlorophenyl)ethyl]-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868832
6-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 112874928
N-(2-ethylphenyl)-2-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112875594

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-phenylethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(2-phenylethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine (CID 112873704) is 2-methyl-N-(2-phenylethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(2-phenylethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(2-phenylethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine is Cc1nc(NCCc2ccccc2)cc(N2CCN(c3ncccn3)CC2)n1.
What is the InChIKey of 2-methyl-N-(2-phenylethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is IBCGTKUYJWZPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7/c1-17-25-19(22-11-8-18-6-3-2-4-7-18)16-20(26-17)27-12-14-28(15-13-27)21-23-9-5-10-24-21/h2-7,9-10,16H,8,11-15H2,1H3,(H,22,25,26).
What are the key properties of 2-methyl-N-(2-phenylethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
2-methyl-N-(2-phenylethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 375.48 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-phenylethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112873704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).