3-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyrimidin-4-one

C12H16F3N3O — CID 138058019

IUPAC3-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyrimidin-4-one
SMILESCn1cnc(NC2CCC(C(F)(F)F)CC2)cc1=O
InChIInChI=1S/C12H16F3N3O/c1-18-7-16-10(6-11(18)19)17-9-4-2-8(3-5-9)12(13,14)15/h6-9,17H,2-5H2,1H3
InChIKeyJSHAFANKHADKMT-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.31
Rot. Bonds2

About 3-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyrimidin-4-one

3-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyrimidin-4-one (PubChem CID 138058019) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 3-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyrimidin-4-one
PubChem CID138058019
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name3-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyrimidin-4-one
SMILESCn1cnc(NC2CCC(C(F)(F)F)CC2)cc1=O
InChIInChI=1S/C12H16F3N3O/c1-18-7-16-10(6-11(18)19)17-9-4-2-8(3-5-9)12(13,14)15/h6-9,17H,2-5H2,1H3
InChIKeyJSHAFANKHADKMT-UHFFFAOYSA-N
XLogP2.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylcyclohexyl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136350754
2-(4-Methyl-cyclohexylamino)-6-trifluoromethyl-pyrimidin-4-ol
CID 136741341
2-(cyclohexylmethylamino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136741412
4-(2-ethylhexylamino)-1H-pyrimidin-6-one
CID 136701823
4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136786657
5-iodo-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136825669
4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136825670
4-[(3-aminocyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136902404
4-[(4-aminocyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136902421
4-[(2,3-dimethylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136955993
4-[(2-methylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136955999
4-[(3-methylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136956055

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyrimidin-4-one?
The IUPAC name of 3-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyrimidin-4-one (CID 138058019) is 3-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyrimidin-4-one?
The canonical SMILES for 3-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyrimidin-4-one is Cn1cnc(NC2CCC(C(F)(F)F)CC2)cc1=O.
What is the InChIKey of 3-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyrimidin-4-one?
The InChIKey is JSHAFANKHADKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-18-7-16-10(6-11(18)19)17-9-4-2-8(3-5-9)12(13,14)15/h6-9,17H,2-5H2,1H3.
What are the key properties of 3-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyrimidin-4-one?
3-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyrimidin-4-one has a molecular weight of 275.27 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[[4-(trifluoromethyl)cyclohexyl]amino]pyrimidin-4-one is sourced from PubChem (CID 138058019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).