1-cyclohexyl-N-[[2-(4-pyrimidin-4-ylpiperazin-1-yl)phenyl]methyl]propan-2-amine

C24H35N5 — CID 123735844

IUPAC1-cyclohexyl-N-[[2-(4-pyrimidin-4-ylpiperazin-1-yl)phenyl]methyl]propan-2-amine
SMILESCC(CC1CCCCC1)NCc1ccccc1N1CCN(c2ccncn2)CC1
InChIInChI=1S/C24H35N5/c1-20(17-21-7-3-2-4-8-21)26-18-22-9-5-6-10-23(22)28-13-15-29(16-14-28)24-11-12-25-19-27-24/h5-6,9-12,19-21,26H,2-4,7-8,13-18H2,1H3
InChIKeyPVNHQPFYTQUWTG-UHFFFAOYSA-N
MW393.58 g/mol
LogP4.25
Rot. Bonds7

About 1-cyclohexyl-N-[[2-(4-pyrimidin-4-ylpiperazin-1-yl)phenyl]methyl]propan-2-amine

1-cyclohexyl-N-[[2-(4-pyrimidin-4-ylpiperazin-1-yl)phenyl]methyl]propan-2-amine (PubChem CID 123735844) has the molecular formula C24H35N5 and a molecular weight of 393.58 g/mol. Its IUPAC name is 1-cyclohexyl-N-[[2-(4-pyrimidin-4-ylpiperazin-1-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-[[2-(4-pyrimidin-4-ylpiperazin-1-yl)phenyl]methyl]propan-2-amine
PubChem CID123735844
Molecular FormulaC24H35N5
Molecular Weight393.58 g/mol
Exact Mass393.29
IUPAC Name1-cyclohexyl-N-[[2-(4-pyrimidin-4-ylpiperazin-1-yl)phenyl]methyl]propan-2-amine
SMILESCC(CC1CCCCC1)NCc1ccccc1N1CCN(c2ccncn2)CC1
InChIInChI=1S/C24H35N5/c1-20(17-21-7-3-2-4-8-21)26-18-22-9-5-6-10-23(22)28-13-15-29(16-14-28)24-11-12-25-19-27-24/h5-6,9-12,19-21,26H,2-4,7-8,13-18H2,1H3
InChIKeyPVNHQPFYTQUWTG-UHFFFAOYSA-N
XLogP4.25
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.58
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-cyclohexyl-N-[[2-(4-pyrimidin-4-ylpiperazin-1-yl)phenyl]methyl]propan-2-amine with MolForge

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Related Compounds

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CID 71379591
N-[(2-piperidin-1-ylphenyl)methyl]propan-2-amine
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[[2-(4-pyrimidin-4-ylpiperazin-1-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of 1-cyclohexyl-N-[[2-(4-pyrimidin-4-ylpiperazin-1-yl)phenyl]methyl]propan-2-amine (CID 123735844) is 1-cyclohexyl-N-[[2-(4-pyrimidin-4-ylpiperazin-1-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for 1-cyclohexyl-N-[[2-(4-pyrimidin-4-ylpiperazin-1-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for 1-cyclohexyl-N-[[2-(4-pyrimidin-4-ylpiperazin-1-yl)phenyl]methyl]propan-2-amine is CC(CC1CCCCC1)NCc1ccccc1N1CCN(c2ccncn2)CC1.
What is the InChIKey of 1-cyclohexyl-N-[[2-(4-pyrimidin-4-ylpiperazin-1-yl)phenyl]methyl]propan-2-amine?
The InChIKey is PVNHQPFYTQUWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5/c1-20(17-21-7-3-2-4-8-21)26-18-22-9-5-6-10-23(22)28-13-15-29(16-14-28)24-11-12-25-19-27-24/h5-6,9-12,19-21,26H,2-4,7-8,13-18H2,1H3.
What are the key properties of 1-cyclohexyl-N-[[2-(4-pyrimidin-4-ylpiperazin-1-yl)phenyl]methyl]propan-2-amine?
1-cyclohexyl-N-[[2-(4-pyrimidin-4-ylpiperazin-1-yl)phenyl]methyl]propan-2-amine has a molecular weight of 393.58 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[[2-(4-pyrimidin-4-ylpiperazin-1-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 123735844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).