2-N-ethyl-4-N-(4-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

C14H15F3N4 — CID 114563709

IUPAC2-N-ethyl-4-N-(4-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(Nc2ccc(C)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H15F3N4/c1-3-18-13-20-11(14(15,16)17)8-12(21-13)19-10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H2,18,19,20,21)
InChIKeyMAWIYTUCECFFRK-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.98
Rot. Bonds4

About 2-N-ethyl-4-N-(4-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-ethyl-4-N-(4-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114563709) has the molecular formula C14H15F3N4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(4-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(4-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114563709
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name2-N-ethyl-4-N-(4-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(Nc2ccc(C)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C14H15F3N4/c1-3-18-13-20-11(14(15,16)17)8-12(21-13)19-10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H2,18,19,20,21)
InChIKeyMAWIYTUCECFFRK-UHFFFAOYSA-N
XLogP3.98
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-ethyl-4-N-(2-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563569
4-N-cyclopentyl-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563838
2-N-ethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 80761602
2-N-propyl-4-N-thiophen-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565395
6-methyl-4-N-(4-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80762323
3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-2-ol
CID 114565964
2-hydrazinyl-N-(4-iodophenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567408
4-N-(3-bromo-4-methylphenyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565052
2-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 114564872
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-methoxy-5-methylbenzenesulfonamide
CID 53048200
N-ethyl-4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 44821862
4-N-[4-(dimethylamino)phenyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80788974

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-(4-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(4-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114563709) is 2-N-ethyl-4-N-(4-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(4-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(4-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is CCNc1nc(Nc2ccc(C)cc2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-N-ethyl-4-N-(4-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is MAWIYTUCECFFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4/c1-3-18-13-20-11(14(15,16)17)8-12(21-13)19-10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 2-N-ethyl-4-N-(4-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-ethyl-4-N-(4-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 296.30 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-(4-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114563709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).