4-(trifluoromethyl)-1H-pyrimidine-2,4-diamine

C5H7F3N4 — CID 151706077

IUPAC4-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(C(F)(F)F)C=CN1
InChIInChI=1S/C5H7F3N4/c6-5(7,8)4(10)1-2-11-3(9)12-4/h1-2H,10H2,(H3,9,11,12)
InChIKeyRFPJETFPYOQUKT-UHFFFAOYSA-N
MW180.13 g/mol
LogP-0.36
Rot. Bonds

About 4-(trifluoromethyl)-1H-pyrimidine-2,4-diamine

4-(trifluoromethyl)-1H-pyrimidine-2,4-diamine (PubChem CID 151706077) has the molecular formula C5H7F3N4 and a molecular weight of 180.13 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
PubChem CID151706077
Molecular FormulaC5H7F3N4
Molecular Weight180.13 g/mol
Exact Mass180.06
IUPAC Name4-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(C(F)(F)F)C=CN1
InChIInChI=1S/C5H7F3N4/c6-5(7,8)4(10)1-2-11-3(9)12-4/h1-2H,10H2,(H3,9,11,12)
InChIKeyRFPJETFPYOQUKT-UHFFFAOYSA-N
XLogP-0.36
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-difluoro-4-(trifluoromethyl)-1H-pyrimidine
CID 21501957
4-chloro-4-(trifluoromethyl)-1H-pyrimidine
CID 67830041
4-(4,4,4-trifluorobutyl)-1H-pyrimidine-2,4-diamine
CID 68867326
2-Chloro-4-(trifluoromethyl)-1,4-dihydropyrimidine
CID 118618033
4-(Trifluoromethyl)-1,4-dihydropyrimidine
CID 123790456
4-(Difluoromethyl)-1,4-dihydropyrimidin-2-amine
CID 132156168
4-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-diamine
CID 143492583
4-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-diamine
CID 143515499
4-fluoro-1H-pyrimidine-2,4-diamine
CID 153727178
4-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
CID 154168925
4-fluoro-4-methyl-2-(trifluoromethyl)-1H-pyrimidine
CID 151123610
4-ethyl-1H-pyrimidine-2,4-diamine
CID 67413305

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-(trifluoromethyl)-1H-pyrimidine-2,4-diamine (CID 151706077) is 4-(trifluoromethyl)-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(trifluoromethyl)-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-(trifluoromethyl)-1H-pyrimidine-2,4-diamine is NC1=NC(N)(C(F)(F)F)C=CN1.
What is the InChIKey of 4-(trifluoromethyl)-1H-pyrimidine-2,4-diamine?
The InChIKey is RFPJETFPYOQUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N4/c6-5(7,8)4(10)1-2-11-3(9)12-4/h1-2H,10H2,(H3,9,11,12).
What are the key properties of 4-(trifluoromethyl)-1H-pyrimidine-2,4-diamine?
4-(trifluoromethyl)-1H-pyrimidine-2,4-diamine has a molecular weight of 180.13 g/mol, XLogP of -0.36, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 151706077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).