5-fluoro-6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine

C12H20FN3 — CID 102609103

IUPAC5-fluoro-6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine
SMILESCc1ncnc(NCC(C)(C)C(C)C)c1F
InChIInChI=1S/C12H20FN3/c1-8(2)12(4,5)6-14-11-10(13)9(3)15-7-16-11/h7-8H,6H2,1-5H3,(H,14,15,16)
InChIKeyLVDYYWVLXPSXOK-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.02
Rot. Bonds4

About 5-fluoro-6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine

5-fluoro-6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine (PubChem CID 102609103) has the molecular formula C12H20FN3 and a molecular weight of 225.31 g/mol. Its IUPAC name is 5-fluoro-6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine
PubChem CID102609103
Molecular FormulaC12H20FN3
Molecular Weight225.31 g/mol
Exact Mass225.16
IUPAC Name5-fluoro-6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine
SMILESCc1ncnc(NCC(C)(C)C(C)C)c1F
InChIInChI=1S/C12H20FN3/c1-8(2)12(4,5)6-14-11-10(13)9(3)15-7-16-11/h7-8H,6H2,1-5H3,(H,14,15,16)
InChIKeyLVDYYWVLXPSXOK-UHFFFAOYSA-N
XLogP3.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine (CID 102609103) is 5-fluoro-6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine is Cc1ncnc(NCC(C)(C)C(C)C)c1F.
What is the InChIKey of 5-fluoro-6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine?
The InChIKey is LVDYYWVLXPSXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3/c1-8(2)12(4,5)6-14-11-10(13)9(3)15-7-16-11/h7-8H,6H2,1-5H3,(H,14,15,16).
What are the key properties of 5-fluoro-6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine?
5-fluoro-6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine has a molecular weight of 225.31 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 102609103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).