2-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol

C13H19F3N4O — CID 114564872

IUPAC2-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCCNc1nc(NC2CCCCC2O)cc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-2-17-12-19-10(13(14,15)16)7-11(20-12)18-8-5-3-4-6-9(8)21/h7-9,21H,2-6H2,1H3,(H2,17,18,19,20)
InChIKeyBAVHAUAYAGQDRL-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.64
Rot. Bonds4

About 2-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol

2-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 114564872) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID114564872
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name2-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCCNc1nc(NC2CCCCC2O)cc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-2-17-12-19-10(13(14,15)16)7-11(20-12)18-8-5-3-4-6-9(8)21/h7-9,21H,2-6H2,1H3,(H2,17,18,19,20)
InChIKeyBAVHAUAYAGQDRL-UHFFFAOYSA-N
XLogP2.64
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cyclopentyl-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563838
2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexan-1-ol
CID 102718306
4-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563891
5-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-2-one
CID 114565081
4-N-(1-cyclopropylbutan-2-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565160
3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-2-ol
CID 114565964
2-N-ethyl-4-N-(4-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563709
1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol
CID 114563784
2-N-ethyl-6-N-(2-methylcyclohexyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717341
2-[(6-amino-2-ethylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80934405
3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide
CID 106280556
2-N-ethyl-4-N-(2-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563569

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 2-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 114564872) is 2-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 2-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol is CCNc1nc(NC2CCCCC2O)cc(C(F)(F)F)n1.
What is the InChIKey of 2-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is BAVHAUAYAGQDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-2-17-12-19-10(13(14,15)16)7-11(20-12)18-8-5-3-4-6-9(8)21/h7-9,21H,2-6H2,1H3,(H2,17,18,19,20).
What are the key properties of 2-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol?
2-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 304.32 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 114564872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).