4-N-ethyl-6-methyl-5-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]pyrimidine-2,4-diamine

C19H25F3N4 — CID 134105930

IUPAC4-N-ethyl-6-methyl-5-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]pyrimidine-2,4-diamine
SMILESCCNc1nc(N)nc(C)c1CCC(C)(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H25F3N4/c1-5-24-16-15(12(2)25-17(23)26-16)10-11-18(3,4)13-6-8-14(9-7-13)19(20,21)22/h6-9H,5,10-11H2,1-4H3,(H3,23,24,25,26)
InChIKeyZQQLVNSNAHXXMS-UHFFFAOYSA-N
MW366.43 g/mol
LogP4.73
Rot. Bonds6

About 4-N-ethyl-6-methyl-5-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]pyrimidine-2,4-diamine

4-N-ethyl-6-methyl-5-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]pyrimidine-2,4-diamine (PubChem CID 134105930) has the molecular formula C19H25F3N4 and a molecular weight of 366.43 g/mol. Its IUPAC name is 4-N-ethyl-6-methyl-5-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-methyl-5-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]pyrimidine-2,4-diamine
PubChem CID134105930
Molecular FormulaC19H25F3N4
Molecular Weight366.43 g/mol
Exact Mass366.20
IUPAC Name4-N-ethyl-6-methyl-5-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]pyrimidine-2,4-diamine
SMILESCCNc1nc(N)nc(C)c1CCC(C)(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H25F3N4/c1-5-24-16-15(12(2)25-17(23)26-16)10-11-18(3,4)13-6-8-14(9-7-13)19(20,21)22/h6-9H,5,10-11H2,1-4H3,(H3,23,24,25,26)
InChIKeyZQQLVNSNAHXXMS-UHFFFAOYSA-N
XLogP4.73
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-ethyl-5,6-dimethylpyrimidine-2,4-diamine
CID 137384091
4-N,5-dibutyl-6-methylpyrimidine-2,4-diamine
CID 135271003
4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 141176474
6-methyl-5-[(Z)-3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-enyl]pyrimidine-2,4-diamine
CID 67725562
N,5-diethyl-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 79964245
N-[4-(ethylamino)-6-methyl-5-[(E)-3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-enyl]pyrimidin-2-yl]-2-methylpropanamide
CID 134104191
N-ethyl-3-propyl-6-(trifluoromethyl)quinolin-2-amine
CID 63524536
6-methyl-5-[3-[3-(trifluoromethyl)phenyl]propyl]pyrimidine-2,4-diamine
CID 56695197
6-methyl-5-[3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-ynyl]pyrimidine-2,4-diamine
CID 21467974
4-ethyl-2-methyl-3-propyl-6-(trifluoromethyl)quinoline
CID 125452574
N,5-diethyl-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 62191430
2-[3-[2-amino-4-(butylamino)-6-methylpyrimidin-5-yl]propyl]isoindole-1,3-dione
CID 135260424

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-methyl-5-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-6-methyl-5-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]pyrimidine-2,4-diamine (CID 134105930) is 4-N-ethyl-6-methyl-5-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-6-methyl-5-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-6-methyl-5-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]pyrimidine-2,4-diamine is CCNc1nc(N)nc(C)c1CCC(C)(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-N-ethyl-6-methyl-5-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]pyrimidine-2,4-diamine?
The InChIKey is ZQQLVNSNAHXXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N4/c1-5-24-16-15(12(2)25-17(23)26-16)10-11-18(3,4)13-6-8-14(9-7-13)19(20,21)22/h6-9H,5,10-11H2,1-4H3,(H3,23,24,25,26).
What are the key properties of 4-N-ethyl-6-methyl-5-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]pyrimidine-2,4-diamine?
4-N-ethyl-6-methyl-5-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]pyrimidine-2,4-diamine has a molecular weight of 366.43 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-methyl-5-[3-methyl-3-[4-(trifluoromethyl)phenyl]butyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 134105930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).