2-cyclohexyl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one

C14H23N3O — CID 114206283

IUPAC2-cyclohexyl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
SMILESCC(C)NCc1cnc(C2CCCCC2)[nH]c1=O
InChIInChI=1S/C14H23N3O/c1-10(2)15-8-12-9-16-13(17-14(12)18)11-6-4-3-5-7-11/h9-11,15H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyFARBIDBTPYXGOF-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.32
Rot. Bonds4

About 2-cyclohexyl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one

2-cyclohexyl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one (PubChem CID 114206283) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-cyclohexyl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclohexyl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
PubChem CID114206283
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-cyclohexyl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
SMILESCC(C)NCc1cnc(C2CCCCC2)[nH]c1=O
InChIInChI=1S/C14H23N3O/c1-10(2)15-8-12-9-16-13(17-14(12)18)11-6-4-3-5-7-11/h9-11,15H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyFARBIDBTPYXGOF-UHFFFAOYSA-N
XLogP2.32
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclohexyl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one (CID 114206283) is 2-cyclohexyl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclohexyl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclohexyl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one is CC(C)NCc1cnc(C2CCCCC2)[nH]c1=O.
What is the InChIKey of 2-cyclohexyl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
The InChIKey is FARBIDBTPYXGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(2)15-8-12-9-16-13(17-14(12)18)11-6-4-3-5-7-11/h9-11,15H,3-8H2,1-2H3,(H,16,17,18).
What are the key properties of 2-cyclohexyl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
2-cyclohexyl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one has a molecular weight of 249.36 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 114206283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).