N-tert-butyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

C10H14F3N3 — CID 118391837

IUPACN-tert-butyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(c1ccnc(C(F)(F)F)n1)C(C)(C)C
InChIInChI=1S/C10H14F3N3/c1-9(2,3)16(4)7-5-6-14-8(15-7)10(11,12)13/h5-6H,1-4H3
InChIKeyBRJQQXRXCHCZQA-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.73
Rot. Bonds1

About N-tert-butyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

N-tert-butyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 118391837) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is N-tert-butyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID118391837
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC NameN-tert-butyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(c1ccnc(C(F)(F)F)n1)C(C)(C)C
InChIInChI=1S/C10H14F3N3/c1-9(2,3)16(4)7-5-6-14-8(15-7)10(11,12)13/h5-6H,1-4H3
InChIKeyBRJQQXRXCHCZQA-UHFFFAOYSA-N
XLogP2.73
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-tert-butyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 118391837) is N-tert-butyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-tert-butyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-tert-butyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is CN(c1ccnc(C(F)(F)F)n1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is BRJQQXRXCHCZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-9(2,3)16(4)7-5-6-14-8(15-7)10(11,12)13/h5-6H,1-4H3.
What are the key properties of N-tert-butyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
N-tert-butyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 233.24 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 118391837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).