6-phenyl-2-(4-phenylpiperazin-1-yl)-N-propylpyrimidin-4-amine

C23H27N5 — CID 112932417

IUPAC6-phenyl-2-(4-phenylpiperazin-1-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2ccccc2)nc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C23H27N5/c1-2-13-24-22-18-21(19-9-5-3-6-10-19)25-23(26-22)28-16-14-27(15-17-28)20-11-7-4-8-12-20/h3-12,18H,2,13-17H2,1H3,(H,24,25,26)
InChIKeyQUVGZDROYAXORZ-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.29
Rot. Bonds6

About 6-phenyl-2-(4-phenylpiperazin-1-yl)-N-propylpyrimidin-4-amine

6-phenyl-2-(4-phenylpiperazin-1-yl)-N-propylpyrimidin-4-amine (PubChem CID 112932417) has the molecular formula C23H27N5 and a molecular weight of 373.50 g/mol. Its IUPAC name is 6-phenyl-2-(4-phenylpiperazin-1-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-phenyl-2-(4-phenylpiperazin-1-yl)-N-propylpyrimidin-4-amine
PubChem CID112932417
Molecular FormulaC23H27N5
Molecular Weight373.50 g/mol
Exact Mass373.23
IUPAC Name6-phenyl-2-(4-phenylpiperazin-1-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2ccccc2)nc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C23H27N5/c1-2-13-24-22-18-21(19-9-5-3-6-10-19)25-23(26-22)28-16-14-27(15-17-28)20-11-7-4-8-12-20/h3-12,18H,2,13-17H2,1H3,(H,24,25,26)
InChIKeyQUVGZDROYAXORZ-UHFFFAOYSA-N
XLogP4.29
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-phenyl-N-propyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112932430
N-pentyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112934269
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
N-(2-methylpropyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112933703
N-benzyl-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935485
2-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenyl-N-propan-2-ylpyrimidin-4-amine
CID 112932687
N-methyl-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 62192650
4-[4-(benzylamino)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112936607
2-[4-(3-methylphenyl)piperazin-1-yl]-6-phenyl-N-propan-2-ylpyrimidin-4-amine
CID 112932695

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-(4-phenylpiperazin-1-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 6-phenyl-2-(4-phenylpiperazin-1-yl)-N-propylpyrimidin-4-amine (CID 112932417) is 6-phenyl-2-(4-phenylpiperazin-1-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-phenyl-2-(4-phenylpiperazin-1-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-phenyl-2-(4-phenylpiperazin-1-yl)-N-propylpyrimidin-4-amine is CCCNc1cc(-c2ccccc2)nc(N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of 6-phenyl-2-(4-phenylpiperazin-1-yl)-N-propylpyrimidin-4-amine?
The InChIKey is QUVGZDROYAXORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5/c1-2-13-24-22-18-21(19-9-5-3-6-10-19)25-23(26-22)28-16-14-27(15-17-28)20-11-7-4-8-12-20/h3-12,18H,2,13-17H2,1H3,(H,24,25,26).
What are the key properties of 6-phenyl-2-(4-phenylpiperazin-1-yl)-N-propylpyrimidin-4-amine?
6-phenyl-2-(4-phenylpiperazin-1-yl)-N-propylpyrimidin-4-amine has a molecular weight of 373.50 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-(4-phenylpiperazin-1-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 112932417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).