4-(4-ethylpiperazin-1-yl)-6-phenyl-N-(1-phenylethyl)pyrimidin-2-amine

C24H29N5 — CID 112936435

IUPAC4-(4-ethylpiperazin-1-yl)-6-phenyl-N-(1-phenylethyl)pyrimidin-2-amine
SMILESCCN1CCN(c2cc(-c3ccccc3)nc(NC(C)c3ccccc3)n2)CC1
InChIInChI=1S/C24H29N5/c1-3-28-14-16-29(17-15-28)23-18-22(21-12-8-5-9-13-21)26-24(27-23)25-19(2)20-10-6-4-7-11-20/h4-13,18-19H,3,14-17H2,1-2H3,(H,25,26,27)
InChIKeyJVXZSZZHYDSIFG-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.46
Rot. Bonds6

About 4-(4-ethylpiperazin-1-yl)-6-phenyl-N-(1-phenylethyl)pyrimidin-2-amine

4-(4-ethylpiperazin-1-yl)-6-phenyl-N-(1-phenylethyl)pyrimidin-2-amine (PubChem CID 112936435) has the molecular formula C24H29N5 and a molecular weight of 387.53 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-6-phenyl-N-(1-phenylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-6-phenyl-N-(1-phenylethyl)pyrimidin-2-amine
PubChem CID112936435
Molecular FormulaC24H29N5
Molecular Weight387.53 g/mol
Exact Mass387.24
IUPAC Name4-(4-ethylpiperazin-1-yl)-6-phenyl-N-(1-phenylethyl)pyrimidin-2-amine
SMILESCCN1CCN(c2cc(-c3ccccc3)nc(NC(C)c3ccccc3)n2)CC1
InChIInChI=1S/C24H29N5/c1-3-28-14-16-29(17-15-28)23-18-22(21-12-8-5-9-13-21)26-24(27-23)25-19(2)20-10-6-4-7-11-20/h4-13,18-19H,3,14-17H2,1-2H3,(H,25,26,27)
InChIKeyJVXZSZZHYDSIFG-UHFFFAOYSA-N
XLogP4.46
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-difluorophenyl)-4-(4-ethylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936484
4-(4-ethylpiperazin-1-yl)-N-(furan-2-ylmethyl)-6-phenylpyrimidin-2-amine
CID 112936430
2-(4-ethylpiperazin-1-yl)-4-phenyl-6-pyrrolidin-1-ylpyrimidine
CID 112934083
6-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
CID 112858031
4-(4-ethylpiperazin-1-yl)-6-(4-fluorophenyl)-2-phenylpyrimidine
CID 69355120
4-methyl-N-(1-phenylethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112916788
4-(benzimidazol-1-yl)-6-phenyl-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 59924822
2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
CID 112888381
4-(4-methylpiperazin-1-yl)-6-phenyl-N-(4-propan-2-ylphenyl)pyrimidin-2-amine
CID 112936303
N-butyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112933620
ethyl 4-[2-(2-methylpropylamino)-6-phenylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112933843
4-(azepan-1-yl)-N-butyl-6-phenylpyrimidin-2-amine
CID 112933669

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-6-phenyl-N-(1-phenylethyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-6-phenyl-N-(1-phenylethyl)pyrimidin-2-amine (CID 112936435) is 4-(4-ethylpiperazin-1-yl)-6-phenyl-N-(1-phenylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-6-phenyl-N-(1-phenylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-6-phenyl-N-(1-phenylethyl)pyrimidin-2-amine is CCN1CCN(c2cc(-c3ccccc3)nc(NC(C)c3ccccc3)n2)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-6-phenyl-N-(1-phenylethyl)pyrimidin-2-amine?
The InChIKey is JVXZSZZHYDSIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5/c1-3-28-14-16-29(17-15-28)23-18-22(21-12-8-5-9-13-21)26-24(27-23)25-19(2)20-10-6-4-7-11-20/h4-13,18-19H,3,14-17H2,1-2H3,(H,25,26,27).
What are the key properties of 4-(4-ethylpiperazin-1-yl)-6-phenyl-N-(1-phenylethyl)pyrimidin-2-amine?
4-(4-ethylpiperazin-1-yl)-6-phenyl-N-(1-phenylethyl)pyrimidin-2-amine has a molecular weight of 387.53 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-6-phenyl-N-(1-phenylethyl)pyrimidin-2-amine is sourced from PubChem (CID 112936435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).