4-(pyrimidin-4-ylamino)cyclohexan-1-one

C10H13N3O — CID 57129909

IUPAC4-(pyrimidin-4-ylamino)cyclohexan-1-one
SMILESO=C1CCC(Nc2ccncn2)CC1
InChIInChI=1S/C10H13N3O/c14-9-3-1-8(2-4-9)13-10-5-6-11-7-12-10/h5-8H,1-4H2,(H,11,12,13)
InChIKeyZXVFCANXIZMVON-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.40
Rot. Bonds2

About 4-(pyrimidin-4-ylamino)cyclohexan-1-one

4-(pyrimidin-4-ylamino)cyclohexan-1-one (PubChem CID 57129909) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-(pyrimidin-4-ylamino)cyclohexan-1-one.

Molecular Properties

Compound Name4-(pyrimidin-4-ylamino)cyclohexan-1-one
PubChem CID57129909
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name4-(pyrimidin-4-ylamino)cyclohexan-1-one
SMILESO=C1CCC(Nc2ccncn2)CC1
InChIInChI=1S/C10H13N3O/c14-9-3-1-8(2-4-9)13-10-5-6-11-7-12-10/h5-8H,1-4H2,(H,11,12,13)
InChIKeyZXVFCANXIZMVON-UHFFFAOYSA-N
XLogP1.40
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(pyrimidin-4-ylamino)cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(Cyclohexylamino)pyrimidine-2-carbonitrile
CID 16108884
N-cyclohexylpyrimidin-2-amine
CID 21252719
4-N-(4-aminocyclohexyl)pyrimidine-2,4-diamine
CID 49857008
4-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 49857015
N-(pyrimidin-2-yl)hexanamide
CID 4250539
N-pyrimidin-4-yldodecanamide
CID 117976156
N-[2-(hexanoylamino)pyrimidin-4-yl]hexanamide
CID 86192667
5-[4-[[N'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]pyrimidin-2-yl]pentanamide
CID 13883818
(S)-3-(2-chloro-5-fluoropyrimidin-4-ylamino)cyclohexanone
CID 86667417
3-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-one
CID 87339045
6,6,6-Trifluoro-4-(pyrimidin-2-ylamino)hexan-3-one
CID 90963891
5-Fluoro-3-(pyrimidin-2-ylamino)pentan-2-one
CID 118376905

Frequently Asked Questions

What is the IUPAC name of 4-(pyrimidin-4-ylamino)cyclohexan-1-one?
The IUPAC name of 4-(pyrimidin-4-ylamino)cyclohexan-1-one (CID 57129909) is 4-(pyrimidin-4-ylamino)cyclohexan-1-one.
What is the SMILES notation for 4-(pyrimidin-4-ylamino)cyclohexan-1-one?
The canonical SMILES for 4-(pyrimidin-4-ylamino)cyclohexan-1-one is O=C1CCC(Nc2ccncn2)CC1.
What is the InChIKey of 4-(pyrimidin-4-ylamino)cyclohexan-1-one?
The InChIKey is ZXVFCANXIZMVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c14-9-3-1-8(2-4-9)13-10-5-6-11-7-12-10/h5-8H,1-4H2,(H,11,12,13).
What are the key properties of 4-(pyrimidin-4-ylamino)cyclohexan-1-one?
4-(pyrimidin-4-ylamino)cyclohexan-1-one has a molecular weight of 191.23 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrimidin-4-ylamino)cyclohexan-1-one is sourced from PubChem (CID 57129909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).