4-(3-methylbutan-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine

C10H14F3N3 — CID 123382661

IUPAC4-(3-methylbutan-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)C(C)c1nc(N)ncc1C(F)(F)F
InChIInChI=1S/C10H14F3N3/c1-5(2)6(3)8-7(10(11,12)13)4-15-9(14)16-8/h4-6H,1-3H3,(H2,14,15,16)
InChIKeyKQYYWUHYMPRKGH-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.84
Rot. Bonds2

About 4-(3-methylbutan-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine

4-(3-methylbutan-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 123382661) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 4-(3-methylbutan-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-methylbutan-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID123382661
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name4-(3-methylbutan-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)C(C)c1nc(N)ncc1C(F)(F)F
InChIInChI=1S/C10H14F3N3/c1-5(2)6(3)8-7(10(11,12)13)4-15-9(14)16-8/h4-6H,1-3H3,(H2,14,15,16)
InChIKeyKQYYWUHYMPRKGH-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutan-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(3-methylbutan-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine (CID 123382661) is 4-(3-methylbutan-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-methylbutan-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-methylbutan-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine is CC(C)C(C)c1nc(N)ncc1C(F)(F)F.
What is the InChIKey of 4-(3-methylbutan-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is KQYYWUHYMPRKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-5(2)6(3)8-7(10(11,12)13)4-15-9(14)16-8/h4-6H,1-3H3,(H2,14,15,16).
What are the key properties of 4-(3-methylbutan-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine?
4-(3-methylbutan-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 233.24 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutan-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 123382661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).