aniline;2-cyclopropyl-6-(trifluoromethyl)pyrimidine-4,5-diamine

C14H16F3N5 — CID 144715276

IUPACaniline;2-cyclopropyl-6-(trifluoromethyl)pyrimidine-4,5-diamine
SMILESNc1ccccc1.Nc1nc(C2CC2)nc(C(F)(F)F)c1N
InChIInChI=1S/C8H9F3N4.C6H7N/c9-8(10,11)5-4(12)6(13)15-7(14-5)3-1-2-3;7-6-4-2-1-3-5-6/h3H,1-2,12H2,(H2,13,14,15);1-5H,7H2
InChIKeyWJOLDMCFMGWSSO-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.81
Rot. Bonds1

About aniline;2-cyclopropyl-6-(trifluoromethyl)pyrimidine-4,5-diamine

aniline;2-cyclopropyl-6-(trifluoromethyl)pyrimidine-4,5-diamine (PubChem CID 144715276) has the molecular formula C14H16F3N5 and a molecular weight of 311.31 g/mol. Its IUPAC name is aniline;2-cyclopropyl-6-(trifluoromethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Nameaniline;2-cyclopropyl-6-(trifluoromethyl)pyrimidine-4,5-diamine
PubChem CID144715276
Molecular FormulaC14H16F3N5
Molecular Weight311.31 g/mol
Exact Mass311.14
IUPAC Nameaniline;2-cyclopropyl-6-(trifluoromethyl)pyrimidine-4,5-diamine
SMILESNc1ccccc1.Nc1nc(C2CC2)nc(C(F)(F)F)c1N
InChIInChI=1S/C8H9F3N4.C6H7N/c9-8(10,11)5-4(12)6(13)15-7(14-5)3-1-2-3;7-6-4-2-1-3-5-6/h3H,1-2,12H2,(H2,13,14,15);1-5H,7H2
InChIKeyWJOLDMCFMGWSSO-UHFFFAOYSA-N
XLogP2.81
TPSA103.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-4,6-diphenyl-1,3,5-triazine
CID 135273812
2-cyclopropyl-5-fluoroquinazolin-4-amine
CID 103624115
2-cyclopropyl-4-methylquinazoline
CID 125485974
2-cyclopropyl-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80989298
6-(2-chlorophenyl)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80975338
4-chloro-2-cyclopropyl-5-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidine
CID 80970010
4-cyclopropyl-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 63868345
4-cyclopropyl-6-(2,3-dihydro-1H-inden-2-yl)-1,3,5-triazin-2-amine
CID 65404523
2-cyclopropyl-8-ethylquinazolin-4-amine
CID 106583926
6-chloro-2-cyclopropylquinazolin-4-amine
CID 106583780
2-cyclopropyl-6-methylquinazolin-4-amine
CID 103691727
4-cyclopropyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 63867458

Frequently Asked Questions

What is the IUPAC name of aniline;2-cyclopropyl-6-(trifluoromethyl)pyrimidine-4,5-diamine?
The IUPAC name of aniline;2-cyclopropyl-6-(trifluoromethyl)pyrimidine-4,5-diamine (CID 144715276) is aniline;2-cyclopropyl-6-(trifluoromethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for aniline;2-cyclopropyl-6-(trifluoromethyl)pyrimidine-4,5-diamine?
The canonical SMILES for aniline;2-cyclopropyl-6-(trifluoromethyl)pyrimidine-4,5-diamine is Nc1ccccc1.Nc1nc(C2CC2)nc(C(F)(F)F)c1N.
What is the InChIKey of aniline;2-cyclopropyl-6-(trifluoromethyl)pyrimidine-4,5-diamine?
The InChIKey is WJOLDMCFMGWSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4.C6H7N/c9-8(10,11)5-4(12)6(13)15-7(14-5)3-1-2-3;7-6-4-2-1-3-5-6/h3H,1-2,12H2,(H2,13,14,15);1-5H,7H2.
What are the key properties of aniline;2-cyclopropyl-6-(trifluoromethyl)pyrimidine-4,5-diamine?
aniline;2-cyclopropyl-6-(trifluoromethyl)pyrimidine-4,5-diamine has a molecular weight of 311.31 g/mol, XLogP of 2.81, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;2-cyclopropyl-6-(trifluoromethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 144715276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).