6-phenyl-N-propyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine

C21H25N7 — CID 112932430

IUPAC6-phenyl-N-propyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCCNc1cc(-c2ccccc2)nc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C21H25N7/c1-2-9-22-19-16-18(17-7-4-3-5-8-17)25-21(26-19)28-14-12-27(13-15-28)20-23-10-6-11-24-20/h3-8,10-11,16H,2,9,12-15H2,1H3,(H,22,25,26)
InChIKeyMCQVNFQJDFLZMR-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.08
Rot. Bonds6

About 6-phenyl-N-propyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine

6-phenyl-N-propyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112932430) has the molecular formula C21H25N7 and a molecular weight of 375.48 g/mol. Its IUPAC name is 6-phenyl-N-propyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-phenyl-N-propyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112932430
Molecular FormulaC21H25N7
Molecular Weight375.48 g/mol
Exact Mass375.22
IUPAC Name6-phenyl-N-propyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCCNc1cc(-c2ccccc2)nc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C21H25N7/c1-2-9-22-19-16-18(17-7-4-3-5-8-17)25-21(26-19)28-14-12-27(13-15-28)20-23-10-6-11-24-20/h3-8,10-11,16H,2,9,12-15H2,1H3,(H,22,25,26)
InChIKeyMCQVNFQJDFLZMR-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-phenyl-2-(4-phenylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 112932417
N-pentyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112934269
N-cyclopropyl-6-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112932983
2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112936354
2-(4-methylpiperidin-1-yl)-N-pentyl-6-phenylpyrimidin-4-amine
CID 112934781
N-benzyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936341
N-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936368
N',N'-dimethyl-N-(6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 112934570
6-methyl-N-(2-phenylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112920054
N-(2-methylpropyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112933703
2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112936355
N-methyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 62192650

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N-propyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of 6-phenyl-N-propyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine (CID 112932430) is 6-phenyl-N-propyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-phenyl-N-propyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 6-phenyl-N-propyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine is CCCNc1cc(-c2ccccc2)nc(N2CCN(c3ncccn3)CC2)n1.
What is the InChIKey of 6-phenyl-N-propyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is MCQVNFQJDFLZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7/c1-2-9-22-19-16-18(17-7-4-3-5-8-17)25-21(26-19)28-14-12-27(13-15-28)20-23-10-6-11-24-20/h3-8,10-11,16H,2,9,12-15H2,1H3,(H,22,25,26).
What are the key properties of 6-phenyl-N-propyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
6-phenyl-N-propyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 375.48 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-N-propyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112932430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).