N-tert-butyl-6-(difluoromethyl)pyrimidin-4-amine

C9H13F2N3 — CID 126849068

IUPACN-tert-butyl-6-(difluoromethyl)pyrimidin-4-amine
SMILESCC(C)(C)Nc1cc(C(F)F)ncn1
InChIInChI=1S/C9H13F2N3/c1-9(2,3)14-7-4-6(8(10)11)12-5-13-7/h4-5,8H,1-3H3,(H,12,13,14)
InChIKeyIUUPQEVCBMDLEI-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.62
Rot. Bonds2

About N-tert-butyl-6-(difluoromethyl)pyrimidin-4-amine

N-tert-butyl-6-(difluoromethyl)pyrimidin-4-amine (PubChem CID 126849068) has the molecular formula C9H13F2N3 and a molecular weight of 201.22 g/mol. Its IUPAC name is N-tert-butyl-6-(difluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-6-(difluoromethyl)pyrimidin-4-amine
PubChem CID126849068
Molecular FormulaC9H13F2N3
Molecular Weight201.22 g/mol
Exact Mass201.11
IUPAC NameN-tert-butyl-6-(difluoromethyl)pyrimidin-4-amine
SMILESCC(C)(C)Nc1cc(C(F)F)ncn1
InChIInChI=1S/C9H13F2N3/c1-9(2,3)14-7-4-6(8(10)11)12-5-13-7/h4-5,8H,1-3H3,(H,12,13,14)
InChIKeyIUUPQEVCBMDLEI-UHFFFAOYSA-N
XLogP2.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(difluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-tert-butyl-6-(difluoromethyl)pyrimidin-4-amine (CID 126849068) is N-tert-butyl-6-(difluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-tert-butyl-6-(difluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-tert-butyl-6-(difluoromethyl)pyrimidin-4-amine is CC(C)(C)Nc1cc(C(F)F)ncn1.
What is the InChIKey of N-tert-butyl-6-(difluoromethyl)pyrimidin-4-amine?
The InChIKey is IUUPQEVCBMDLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3/c1-9(2,3)14-7-4-6(8(10)11)12-5-13-7/h4-5,8H,1-3H3,(H,12,13,14).
What are the key properties of N-tert-butyl-6-(difluoromethyl)pyrimidin-4-amine?
N-tert-butyl-6-(difluoromethyl)pyrimidin-4-amine has a molecular weight of 201.22 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(difluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 126849068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).