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

C15H17F3N4 — CID 56695197

IUPAC6-methyl-5-[3-[3-(trifluoromethyl)phenyl]propyl]pyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N)c1CCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H17F3N4/c1-9-12(13(19)22-14(20)21-9)7-3-5-10-4-2-6-11(8-10)15(16,17)18/h2,4,6,8H,3,5,7H2,1H3,(H4,19,20,21,22)
InChIKeyKWBRMEUVQPSXTM-UHFFFAOYSA-N
MW310.32 g/mol
LogP3.14
Rot. Bonds4

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

6-methyl-5-[3-[3-(trifluoromethyl)phenyl]propyl]pyrimidine-2,4-diamine (PubChem CID 56695197) has the molecular formula C15H17F3N4 and a molecular weight of 310.32 g/mol. Its IUPAC name is 6-methyl-5-[3-[3-(trifluoromethyl)phenyl]propyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-5-[3-[3-(trifluoromethyl)phenyl]propyl]pyrimidine-2,4-diamine
PubChem CID56695197
Molecular FormulaC15H17F3N4
Molecular Weight310.32 g/mol
Exact Mass310.14
IUPAC Name6-methyl-5-[3-[3-(trifluoromethyl)phenyl]propyl]pyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N)c1CCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H17F3N4/c1-9-12(13(19)22-14(20)21-9)7-3-5-10-4-2-6-11(8-10)15(16,17)18/h2,4,6,8H,3,5,7H2,1H3,(H4,19,20,21,22)
InChIKeyKWBRMEUVQPSXTM-UHFFFAOYSA-N
XLogP3.14
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618
methoxy-dimethyl-[3-[3-(trifluoromethyl)phenyl]propyl]silane
CID 90172470
6-ethyl-5-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 10062289
dihydroxy-methoxy-[3-[3-(trifluoromethyl)phenyl]propyl]silane
CID 90173460
4-(trifluoromethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 58040029
5-(3-tert-butylphenyl)-2-fluoropentan-2-amine
CID 70646222
N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860
diethyl-methoxy-[5-[3-(trifluoromethyl)phenyl]pentyl]silane
CID 90172777
diethyl-[6-[3-(trifluoromethyl)phenyl]hexyl]silane
CID 162621887
CID 90172123
CID 90172123
2-N-[(1S)-1-phenylpropyl]-2-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3,5-triazine-2,4,6-triamine
CID 154452224
1-(4-chloro-3-methylbutyl)-3-(trifluoromethyl)benzene
CID 64665255

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[3-[3-(trifluoromethyl)phenyl]propyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-5-[3-[3-(trifluoromethyl)phenyl]propyl]pyrimidine-2,4-diamine (CID 56695197) is 6-methyl-5-[3-[3-(trifluoromethyl)phenyl]propyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-5-[3-[3-(trifluoromethyl)phenyl]propyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-5-[3-[3-(trifluoromethyl)phenyl]propyl]pyrimidine-2,4-diamine is Cc1nc(N)nc(N)c1CCCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-methyl-5-[3-[3-(trifluoromethyl)phenyl]propyl]pyrimidine-2,4-diamine?
The InChIKey is KWBRMEUVQPSXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4/c1-9-12(13(19)22-14(20)21-9)7-3-5-10-4-2-6-11(8-10)15(16,17)18/h2,4,6,8H,3,5,7H2,1H3,(H4,19,20,21,22).
What are the key properties of 6-methyl-5-[3-[3-(trifluoromethyl)phenyl]propyl]pyrimidine-2,4-diamine?
6-methyl-5-[3-[3-(trifluoromethyl)phenyl]propyl]pyrimidine-2,4-diamine has a molecular weight of 310.32 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[3-[3-(trifluoromethyl)phenyl]propyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 56695197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).