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

C21H25N7 — CID 112920054

IUPAC6-methyl-N-(2-phenylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1cc(NCCc2ccccc2)nc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C21H25N7/c1-17-16-19(22-11-8-18-6-3-2-4-7-18)26-21(25-17)28-14-12-27(13-15-28)20-23-9-5-10-24-20/h2-7,9-10,16H,8,11-15H2,1H3,(H,22,25,26)
InChIKeyOAWPNYBXZOUMGW-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.56
Rot. Bonds6

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

6-methyl-N-(2-phenylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112920054) has the molecular formula C21H25N7 and a molecular weight of 375.48 g/mol. Its IUPAC name is 6-methyl-N-(2-phenylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(2-phenylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112920054
Molecular FormulaC21H25N7
Molecular Weight375.48 g/mol
Exact Mass375.22
IUPAC Name6-methyl-N-(2-phenylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1cc(NCCc2ccccc2)nc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C21H25N7/c1-17-16-19(22-11-8-18-6-3-2-4-7-18)26-21(25-17)28-14-12-27(13-15-28)20-23-9-5-10-24-20/h2-7,9-10,16H,8,11-15H2,1H3,(H,22,25,26)
InChIKeyOAWPNYBXZOUMGW-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

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

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Related Compounds

1-[4-[4-methyl-6-(2-phenylethylamino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112914983
6-methyl-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-4-amine
CID 112910888
2-methyl-N-(2-phenylethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112873704
2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyrimidin-4-amine
CID 46891062
2-(4-benzylpiperazin-1-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 112906857
2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine
CID 112911357
6-phenyl-N-propyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112932430
6-methyl-2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112919106
1-[4-[4-[2-(3-chlorophenyl)ethylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112915022
4-[2-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112913985
N-(3,4-dimethylphenyl)-6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112924034
6-methyl-4-N-(2-phenylethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919252

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-phenylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-(2-phenylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine (CID 112920054) is 6-methyl-N-(2-phenylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-(2-phenylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-(2-phenylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine is Cc1cc(NCCc2ccccc2)nc(N2CCN(c3ncccn3)CC2)n1.
What is the InChIKey of 6-methyl-N-(2-phenylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is OAWPNYBXZOUMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7/c1-17-16-19(22-11-8-18-6-3-2-4-7-18)26-21(25-17)28-14-12-27(13-15-28)20-23-9-5-10-24-20/h2-7,9-10,16H,8,11-15H2,1H3,(H,22,25,26).
What are the key properties of 6-methyl-N-(2-phenylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
6-methyl-N-(2-phenylethyl)-2-(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 6-methyl-N-(2-phenylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112920054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).