1-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-2-one

C13H21N3O — CID 62562052

IUPAC1-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-2-one
SMILESCC1CCC(NCCn2cccnc2=O)CC1
InChIInChI=1S/C13H21N3O/c1-11-3-5-12(6-4-11)14-8-10-16-9-2-7-15-13(16)17/h2,7,9,11-12,14H,3-6,8,10H2,1H3
InChIKeyVDDKBGPIJFNZSK-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.41
Rot. Bonds4

About 1-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-2-one

1-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-2-one (PubChem CID 62562052) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-2-one
PubChem CID62562052
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-2-one
SMILESCC1CCC(NCCn2cccnc2=O)CC1
InChIInChI=1S/C13H21N3O/c1-11-3-5-12(6-4-11)14-8-10-16-9-2-7-15-13(16)17/h2,7,9,11-12,14H,3-6,8,10H2,1H3
InChIKeyVDDKBGPIJFNZSK-UHFFFAOYSA-N
XLogP1.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-1-[4-(butylaminomethyl)cyclohexyl]pyrimidin-2-one
CID 170194080
N-(4-methylcyclohexyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 39005501
N-(cyclohexylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 39892134
1-[2-(Aminomethyl)-5-propylcyclohexyl]pyrimidin-2-one
CID 43329382
1-[2-(Aminomethyl)-5-ethylcyclohexyl]pyrimidin-2-one
CID 43428534
1-[2-(Aminomethyl)-5-methylcyclohexyl]pyrimidin-2-one
CID 43428535
1-[2-(Aminomethyl)cyclohexyl]pyrimidin-2-one
CID 43428537
1-[2-(Cyclohexylmethylamino)ethyl]pyrimidin-2-one
CID 55134263
5-Methyl-1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrimidin-2-one
CID 55162824
1-[2-(Propylamino)pentyl]pyrimidin-2-one
CID 62044282
1-[2-(Ethylamino)pentyl]pyrimidin-2-one
CID 62044500
1-(2-Piperidin-3-ylethyl)pyrimidin-2-one
CID 62355658

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-2-one (CID 62562052) is 1-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-2-one is CC1CCC(NCCn2cccnc2=O)CC1.
What is the InChIKey of 1-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-2-one?
The InChIKey is VDDKBGPIJFNZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11-3-5-12(6-4-11)14-8-10-16-9-2-7-15-13(16)17/h2,7,9,11-12,14H,3-6,8,10H2,1H3.
What are the key properties of 1-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-2-one?
1-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-2-one has a molecular weight of 235.33 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-2-one is sourced from PubChem (CID 62562052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).