N-ethyl-4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine

C15H16F3N3 — CID 44821862

IUPACN-ethyl-4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(-c2ccc(CC)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C15H16F3N3/c1-3-10-5-7-11(8-6-10)12-9-13(15(16,17)18)21-14(20-12)19-4-2/h5-9H,3-4H2,1-2H3,(H,19,20,21)
InChIKeyHNDHHLMHGONWMA-UHFFFAOYSA-N
MW295.31 g/mol
LogP4.16
Rot. Bonds4

About N-ethyl-4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine

N-ethyl-4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 44821862) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is N-ethyl-4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID44821862
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC NameN-ethyl-4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(-c2ccc(CC)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C15H16F3N3/c1-3-10-5-7-11(8-6-10)12-9-13(15(16,17)18)21-14(20-12)19-4-2/h5-9H,3-4H2,1-2H3,(H,19,20,21)
InChIKeyHNDHHLMHGONWMA-UHFFFAOYSA-N
XLogP4.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethylphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 44821825
N-ethyl-6-(4-ethylphenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769352
N-ethyl-4-(2-methoxy-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563476
N-propyl-4-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563224
N-ethyl-4-(2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563258
N-ethyl-4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 44821865
4-(4-chloro-2-fluorophenyl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563418
4-(4-ethylphenyl)-2-piperazin-1-yl-6-(trifluoromethyl)pyrimidine
CID 19621605
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 44824552
N-methyl-4-(4-propan-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563283
2-N-ethyl-4-N-(4-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563709
4-tert-butylsulfanyl-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566701

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 44821862) is N-ethyl-4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine is CCNc1nc(-c2ccc(CC)cc2)cc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is HNDHHLMHGONWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-3-10-5-7-11(8-6-10)12-9-13(15(16,17)18)21-14(20-12)19-4-2/h5-9H,3-4H2,1-2H3,(H,19,20,21).
What are the key properties of N-ethyl-4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine?
N-ethyl-4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 295.31 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 44821862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).