cyclohexanamine;1H-pyrimidin-2-one

C10H17N3O — CID 145268923

IUPACcyclohexanamine;1H-pyrimidin-2-one
SMILESNC1CCCCC1.O=c1nccc[nH]1
InChIInChI=1S/C6H13N.C4H4N2O/c7-6-4-2-1-3-5-6;7-4-5-2-1-3-6-4/h6H,1-5,7H2;1-3H,(H,5,6,7)
InChIKeyOHFYDBXUGNHBDB-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.05
Rot. Bonds

About cyclohexanamine;1H-pyrimidin-2-one

cyclohexanamine;1H-pyrimidin-2-one (PubChem CID 145268923) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is cyclohexanamine;1H-pyrimidin-2-one.

Molecular Properties

Compound Namecyclohexanamine;1H-pyrimidin-2-one
PubChem CID145268923
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Namecyclohexanamine;1H-pyrimidin-2-one
SMILESNC1CCCCC1.O=c1nccc[nH]1
InChIInChI=1S/C6H13N.C4H4N2O/c7-6-4-2-1-3-5-6;7-4-5-2-1-3-6-4/h6H,1-5,7H2;1-3H,(H,5,6,7)
InChIKeyOHFYDBXUGNHBDB-UHFFFAOYSA-N
XLogP1.05
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;1H-pyrimidin-2-one?
The IUPAC name of cyclohexanamine;1H-pyrimidin-2-one (CID 145268923) is cyclohexanamine;1H-pyrimidin-2-one.
What is the SMILES notation for cyclohexanamine;1H-pyrimidin-2-one?
The canonical SMILES for cyclohexanamine;1H-pyrimidin-2-one is NC1CCCCC1.O=c1nccc[nH]1.
What is the InChIKey of cyclohexanamine;1H-pyrimidin-2-one?
The InChIKey is OHFYDBXUGNHBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C4H4N2O/c7-6-4-2-1-3-5-6;7-4-5-2-1-3-6-4/h6H,1-5,7H2;1-3H,(H,5,6,7).
What are the key properties of cyclohexanamine;1H-pyrimidin-2-one?
cyclohexanamine;1H-pyrimidin-2-one has a molecular weight of 195.27 g/mol, XLogP of 1.05, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine;1H-pyrimidin-2-one is sourced from PubChem (CID 145268923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).