2-[(1-cyclohexylpiperidin-4-yl)amino]-4-ethyl-1H-pyrimidin-6-one

C17H28N4O — CID 155900879

IUPAC2-[(1-cyclohexylpiperidin-4-yl)amino]-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(NC2CCN(C3CCCCC3)CC2)n1
InChIInChI=1S/C17H28N4O/c1-2-13-12-16(22)20-17(18-13)19-14-8-10-21(11-9-14)15-6-4-3-5-7-15/h12,14-15H,2-11H2,1H3,(H2,18,19,20,22)
InChIKeyUFZNMSKERZEOPN-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.54
Rot. Bonds4

About 2-[(1-cyclohexylpiperidin-4-yl)amino]-4-ethyl-1H-pyrimidin-6-one

2-[(1-cyclohexylpiperidin-4-yl)amino]-4-ethyl-1H-pyrimidin-6-one (PubChem CID 155900879) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-[(1-cyclohexylpiperidin-4-yl)amino]-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(1-cyclohexylpiperidin-4-yl)amino]-4-ethyl-1H-pyrimidin-6-one
PubChem CID155900879
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name2-[(1-cyclohexylpiperidin-4-yl)amino]-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(NC2CCN(C3CCCCC3)CC2)n1
InChIInChI=1S/C17H28N4O/c1-2-13-12-16(22)20-17(18-13)19-14-8-10-21(11-9-14)15-6-4-3-5-7-15/h12,14-15H,2-11H2,1H3,(H2,18,19,20,22)
InChIKeyUFZNMSKERZEOPN-UHFFFAOYSA-N
XLogP2.54
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclohexylpiperidin-4-yl)amino]-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(1-cyclohexylpiperidin-4-yl)amino]-4-ethyl-1H-pyrimidin-6-one (CID 155900879) is 2-[(1-cyclohexylpiperidin-4-yl)amino]-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(1-cyclohexylpiperidin-4-yl)amino]-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(1-cyclohexylpiperidin-4-yl)amino]-4-ethyl-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(NC2CCN(C3CCCCC3)CC2)n1.
What is the InChIKey of 2-[(1-cyclohexylpiperidin-4-yl)amino]-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is UFZNMSKERZEOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-2-13-12-16(22)20-17(18-13)19-14-8-10-21(11-9-14)15-6-4-3-5-7-15/h12,14-15H,2-11H2,1H3,(H2,18,19,20,22).
What are the key properties of 2-[(1-cyclohexylpiperidin-4-yl)amino]-4-ethyl-1H-pyrimidin-6-one?
2-[(1-cyclohexylpiperidin-4-yl)amino]-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 304.44 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclohexylpiperidin-4-yl)amino]-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 155900879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).