5-(1,1,1-trifluoropropan-2-yl)pyrimidine-2,4-diamine

C7H9F3N4 — CID 175016335

IUPAC5-(1,1,1-trifluoropropan-2-yl)pyrimidine-2,4-diamine
SMILESCC(c1cnc(N)nc1N)C(F)(F)F
InChIInChI=1S/C7H9F3N4/c1-3(7(8,9)10)4-2-13-6(12)14-5(4)11/h2-3H,1H3,(H4,11,12,13,14)
InChIKeyDQYVHDASJSRPJZ-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.31
Rot. Bonds1

About 5-(1,1,1-trifluoropropan-2-yl)pyrimidine-2,4-diamine

5-(1,1,1-trifluoropropan-2-yl)pyrimidine-2,4-diamine (PubChem CID 175016335) has the molecular formula C7H9F3N4 and a molecular weight of 206.17 g/mol. Its IUPAC name is 5-(1,1,1-trifluoropropan-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(1,1,1-trifluoropropan-2-yl)pyrimidine-2,4-diamine
PubChem CID175016335
Molecular FormulaC7H9F3N4
Molecular Weight206.17 g/mol
Exact Mass206.08
IUPAC Name5-(1,1,1-trifluoropropan-2-yl)pyrimidine-2,4-diamine
SMILESCC(c1cnc(N)nc1N)C(F)(F)F
InChIInChI=1S/C7H9F3N4/c1-3(7(8,9)10)4-2-13-6(12)14-5(4)11/h2-3H,1H3,(H4,11,12,13,14)
InChIKeyDQYVHDASJSRPJZ-UHFFFAOYSA-N
XLogP1.31
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methylpyrimidin-4-amine
CID 21719209
2-Chloro-5-ethylpyrimidine
CID 3572763
2-Chloro-5-(trifluoromethyl)pyrimidin-4-amine
CID 72183117
2,4-Diamino-5-methylpyrimidine
CID 65266
Guanidine, 1,1'-(5-methylpyrimidine-2,4-diyl)di-
CID 35795
5-(Trifluoromethyl)pyrimidin-2-amine
CID 15273574
5-(Propan-2-yl)pyrimidin-2-amine
CID 20823899
5-Ethylpyrimidin-2-amine
CID 23131355
2-(Pyrimidin-5-yl)ethan-1-amine
CID 27281450
2-Bromo-5-ethylpyrimidine
CID 66520097
2-Chloro-5-cyclopropylpyrimidin-4-amine
CID 89155427
2-Chloro-5-(2-fluoropropan-2-yl)pyrimidine
CID 165754623

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1-trifluoropropan-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(1,1,1-trifluoropropan-2-yl)pyrimidine-2,4-diamine (CID 175016335) is 5-(1,1,1-trifluoropropan-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(1,1,1-trifluoropropan-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(1,1,1-trifluoropropan-2-yl)pyrimidine-2,4-diamine is CC(c1cnc(N)nc1N)C(F)(F)F.
What is the InChIKey of 5-(1,1,1-trifluoropropan-2-yl)pyrimidine-2,4-diamine?
The InChIKey is DQYVHDASJSRPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4/c1-3(7(8,9)10)4-2-13-6(12)14-5(4)11/h2-3H,1H3,(H4,11,12,13,14).
What are the key properties of 5-(1,1,1-trifluoropropan-2-yl)pyrimidine-2,4-diamine?
5-(1,1,1-trifluoropropan-2-yl)pyrimidine-2,4-diamine has a molecular weight of 206.17 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1-trifluoropropan-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 175016335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).