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

C6H9F3N4 — CID 143515499

IUPAC4-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(CC(F)(F)F)C=CN1
InChIInChI=1S/C6H9F3N4/c7-6(8,9)3-5(11)1-2-12-4(10)13-5/h1-2H,3,11H2,(H3,10,12,13)
InChIKeyKVEZCGBYFGUHNJ-UHFFFAOYSA-N
MW194.16 g/mol
LogP0.03
Rot. Bonds1

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

4-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-diamine (PubChem CID 143515499) has the molecular formula C6H9F3N4 and a molecular weight of 194.16 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-diamine
PubChem CID143515499
Molecular FormulaC6H9F3N4
Molecular Weight194.16 g/mol
Exact Mass194.08
IUPAC Name4-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(CC(F)(F)F)C=CN1
InChIInChI=1S/C6H9F3N4/c7-6(8,9)3-5(11)1-2-12-4(10)13-5/h1-2H,3,11H2,(H3,10,12,13)
InChIKeyKVEZCGBYFGUHNJ-UHFFFAOYSA-N
XLogP0.03
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-difluoro-4-(trifluoromethyl)-1H-pyrimidine
CID 21501957
4-(4,4,4-trifluorobutyl)-1H-pyrimidine-2,4-diamine
CID 68867326
4-(Difluoromethyl)-1,4-dihydropyrimidin-2-amine
CID 132156168
4-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-diamine
CID 143492583
4-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
CID 151706077
4-fluoro-1H-pyrimidine-2,4-diamine
CID 153727178
4-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
CID 154168925
4-ethyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
CID 154281463
4-(2,2,2-trifluoroethyl)-1H-pyrimidine-4,5-diamine
CID 152391419
4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine
CID 171648861
4-ethyl-1H-pyrimidine-2,4-diamine
CID 67413305
4-methyl-1H-pyrimidine-2,4-diamine
CID 68412964

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-diamine (CID 143515499) is 4-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-diamine is NC1=NC(N)(CC(F)(F)F)C=CN1.
What is the InChIKey of 4-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-diamine?
The InChIKey is KVEZCGBYFGUHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N4/c7-6(8,9)3-5(11)1-2-12-4(10)13-5/h1-2H,3,11H2,(H3,10,12,13).
What are the key properties of 4-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-diamine?
4-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-diamine has a molecular weight of 194.16 g/mol, XLogP of 0.03, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 143515499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).