4-N-cyclohexyl-5-(2,2,2-trifluoroethanimidoyl)pyrimidine-4,6-diamine

C12H16F3N5 — CID 142292803

IUPAC4-N-cyclohexyl-5-(2,2,2-trifluoroethanimidoyl)pyrimidine-4,6-diamine
SMILES[H]/N=C(/c1c(N)ncnc1NC1CCCCC1)C(F)(F)F
InChIInChI=1S/C12H16F3N5/c13-12(14,15)9(16)8-10(17)18-6-19-11(8)20-7-4-2-1-3-5-7/h6-7,16H,1-5H2,(H3,17,18,19,20)/b16-9-
InChIKeyIHNRQWWWPPGFGZ-SXGWCWSVSA-N
MW287.29 g/mol
LogP2.73
Rot. Bonds3

About 4-N-cyclohexyl-5-(2,2,2-trifluoroethanimidoyl)pyrimidine-4,6-diamine

4-N-cyclohexyl-5-(2,2,2-trifluoroethanimidoyl)pyrimidine-4,6-diamine (PubChem CID 142292803) has the molecular formula C12H16F3N5 and a molecular weight of 287.29 g/mol. Its IUPAC name is 4-N-cyclohexyl-5-(2,2,2-trifluoroethanimidoyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-5-(2,2,2-trifluoroethanimidoyl)pyrimidine-4,6-diamine
PubChem CID142292803
Molecular FormulaC12H16F3N5
Molecular Weight287.29 g/mol
Exact Mass287.14
IUPAC Name4-N-cyclohexyl-5-(2,2,2-trifluoroethanimidoyl)pyrimidine-4,6-diamine
SMILES[H]/N=C(/c1c(N)ncnc1NC1CCCCC1)C(F)(F)F
InChIInChI=1S/C12H16F3N5/c13-12(14,15)9(16)8-10(17)18-6-19-11(8)20-7-4-2-1-3-5-7/h6-7,16H,1-5H2,(H3,17,18,19,20)/b16-9-
InChIKeyIHNRQWWWPPGFGZ-SXGWCWSVSA-N
XLogP2.73
TPSA87.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-5,6-dimethylpyrimidin-4-amine
CID 97113229
cis-N-(4-dimethylamino-5-trifluoromethyl-pyrimidin-2-yl)-cyclohexane-1,4-diamine
CID 23026786
4-N-cyclohexyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 90961758
2-N-cyclohexyl-4-N,4-N-dimethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 91516370
2-Chloro-N-(4,4-difluorocyclohexyl)-5,6-dimethylpyrimidin-4-amine
CID 117817673
1-N-(2,2-difluoroethyl)-2-N-(5,6-dimethylpyrimidin-4-yl)propane-1,2-diamine
CID 118973068
2-chloro-N-(4,4-difluorocyclohexyl)-5-ethylpyrimidin-4-amine
CID 132207768
6-chloro-N-cyclohexyl-5-(2,2,2-trifluoroethanimidoyl)pyrimidin-4-amine
CID 134299789
5-(2,2,2-Trifluoroethanimidoyl)pyrimidine-4,6-diamine
CID 139471727
trans-(1R,2R)-1-N-methyl-2-N-[5-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1,2-diamine
CID 141279797
N-(4,4-difluorocyclohexyl)-5,6-dimethylpyrimidin-4-amine
CID 141374951
N-piperidin-4-yl-5-(4,4,4-trifluorobutyl)pyrimidin-4-amine
CID 142493201

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-5-(2,2,2-trifluoroethanimidoyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclohexyl-5-(2,2,2-trifluoroethanimidoyl)pyrimidine-4,6-diamine (CID 142292803) is 4-N-cyclohexyl-5-(2,2,2-trifluoroethanimidoyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclohexyl-5-(2,2,2-trifluoroethanimidoyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclohexyl-5-(2,2,2-trifluoroethanimidoyl)pyrimidine-4,6-diamine is [H]/N=C(/c1c(N)ncnc1NC1CCCCC1)C(F)(F)F.
What is the InChIKey of 4-N-cyclohexyl-5-(2,2,2-trifluoroethanimidoyl)pyrimidine-4,6-diamine?
The InChIKey is IHNRQWWWPPGFGZ-SXGWCWSVSA-N. The full InChI is InChI=1S/C12H16F3N5/c13-12(14,15)9(16)8-10(17)18-6-19-11(8)20-7-4-2-1-3-5-7/h6-7,16H,1-5H2,(H3,17,18,19,20)/b16-9-.
What are the key properties of 4-N-cyclohexyl-5-(2,2,2-trifluoroethanimidoyl)pyrimidine-4,6-diamine?
4-N-cyclohexyl-5-(2,2,2-trifluoroethanimidoyl)pyrimidine-4,6-diamine has a molecular weight of 287.29 g/mol, XLogP of 2.73, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-5-(2,2,2-trifluoroethanimidoyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 142292803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).