2-tert-butyl-4-(difluoromethyl)pyrimidin-5-amine

C9H13F2N3 — CID 130483737

IUPAC2-tert-butyl-4-(difluoromethyl)pyrimidin-5-amine
SMILESCC(C)(C)c1ncc(N)c(C(F)F)n1
InChIInChI=1S/C9H13F2N3/c1-9(2,3)8-13-4-5(12)6(14-8)7(10)11/h4,7H,12H2,1-3H3
InChIKeyUTJYJDYPPRHENG-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.29
Rot. Bonds1

About 2-tert-butyl-4-(difluoromethyl)pyrimidin-5-amine

2-tert-butyl-4-(difluoromethyl)pyrimidin-5-amine (PubChem CID 130483737) has the molecular formula C9H13F2N3 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-tert-butyl-4-(difluoromethyl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-tert-butyl-4-(difluoromethyl)pyrimidin-5-amine
PubChem CID130483737
Molecular FormulaC9H13F2N3
Molecular Weight201.22 g/mol
Exact Mass201.11
IUPAC Name2-tert-butyl-4-(difluoromethyl)pyrimidin-5-amine
SMILESCC(C)(C)c1ncc(N)c(C(F)F)n1
InChIInChI=1S/C9H13F2N3/c1-9(2,3)8-13-4-5(12)6(14-8)7(10)11/h4,7H,12H2,1-3H3
InChIKeyUTJYJDYPPRHENG-UHFFFAOYSA-N
XLogP2.29
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethyl)-2-(2-ethoxybutan-2-yl)pyrimidin-5-amine
CID 114207291
2-(5-amino-2-tert-butylpyrimidin-4-yl)acetonitrile
CID 84771568
2-cycloheptyl-4-(difluoromethyl)pyrimidin-5-amine
CID 114207293
5-(aminomethyl)-6-(difluoromethyl)-4-methylpyridin-3-amine
CID 130106307
6-tert-butylpyrimido[5,4-d]pyrimidin-4-amine
CID 141112690
4-(bromomethyl)-6-(difluoromethyl)-5-methylpyridin-3-amine
CID 130106337
5-amino-4-chloro-2-(difluoromethyl)pyridin-3-ol
CID 130102480
(2-tert-butyl-4-chloropyrimidin-5-yl)methanamine
CID 83852101
2-tert-butyl-5-fluoropyrimidine
CID 22958265
2-tert-butyl-5-(difluoromethoxy)pyrimidine
CID 58088060
6-(difluoromethyl)pyridine-2,5-diamine
CID 119004812
2-(2-bicyclo[2.2.1]heptanyl)-4-(difluoromethyl)pyrimidin-5-amine
CID 114207297

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(difluoromethyl)pyrimidin-5-amine?
The IUPAC name of 2-tert-butyl-4-(difluoromethyl)pyrimidin-5-amine (CID 130483737) is 2-tert-butyl-4-(difluoromethyl)pyrimidin-5-amine.
What is the SMILES notation for 2-tert-butyl-4-(difluoromethyl)pyrimidin-5-amine?
The canonical SMILES for 2-tert-butyl-4-(difluoromethyl)pyrimidin-5-amine is CC(C)(C)c1ncc(N)c(C(F)F)n1.
What is the InChIKey of 2-tert-butyl-4-(difluoromethyl)pyrimidin-5-amine?
The InChIKey is UTJYJDYPPRHENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3/c1-9(2,3)8-13-4-5(12)6(14-8)7(10)11/h4,7H,12H2,1-3H3.
What are the key properties of 2-tert-butyl-4-(difluoromethyl)pyrimidin-5-amine?
2-tert-butyl-4-(difluoromethyl)pyrimidin-5-amine has a molecular weight of 201.22 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(difluoromethyl)pyrimidin-5-amine is sourced from PubChem (CID 130483737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).