5-(2-methylbutan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine

C10H14F3N3 — CID 134590784

IUPAC5-(2-methylbutan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCCC(C)(C)c1cnc(N)nc1C(F)(F)F
InChIInChI=1S/C10H14F3N3/c1-4-9(2,3)6-5-15-8(14)16-7(6)10(11,12)13/h5H,4H2,1-3H3,(H2,14,15,16)
InChIKeyRYNDGGNSVCLQPN-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.77
Rot. Bonds2

About 5-(2-methylbutan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine

5-(2-methylbutan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 134590784) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 5-(2-methylbutan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(2-methylbutan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID134590784
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name5-(2-methylbutan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCCC(C)(C)c1cnc(N)nc1C(F)(F)F
InChIInChI=1S/C10H14F3N3/c1-4-9(2,3)6-5-15-8(14)16-7(6)10(11,12)13/h5H,4H2,1-3H3,(H2,14,15,16)
InChIKeyRYNDGGNSVCLQPN-UHFFFAOYSA-N
XLogP2.77
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylbutan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 5-(2-methylbutan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine (CID 134590784) is 5-(2-methylbutan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(2-methylbutan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 5-(2-methylbutan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine is CCC(C)(C)c1cnc(N)nc1C(F)(F)F.
What is the InChIKey of 5-(2-methylbutan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is RYNDGGNSVCLQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-4-9(2,3)6-5-15-8(14)16-7(6)10(11,12)13/h5H,4H2,1-3H3,(H2,14,15,16).
What are the key properties of 5-(2-methylbutan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
5-(2-methylbutan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 233.24 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylbutan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 134590784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).