N-cyclobutyl-5-fluoro-6-methylpyrimidin-4-amine

C9H12FN3 — CID 103650743

IUPACN-cyclobutyl-5-fluoro-6-methylpyrimidin-4-amine
SMILESCc1ncnc(NC2CCC2)c1F
InChIInChI=1S/C9H12FN3/c1-6-8(10)9(12-5-11-6)13-7-3-2-4-7/h5,7H,2-4H2,1H3,(H,11,12,13)
InChIKeyKWVOQSYJEWDWIR-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.89
Rot. Bonds2

About N-cyclobutyl-5-fluoro-6-methylpyrimidin-4-amine

N-cyclobutyl-5-fluoro-6-methylpyrimidin-4-amine (PubChem CID 103650743) has the molecular formula C9H12FN3 and a molecular weight of 181.21 g/mol. Its IUPAC name is N-cyclobutyl-5-fluoro-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclobutyl-5-fluoro-6-methylpyrimidin-4-amine
PubChem CID103650743
Molecular FormulaC9H12FN3
Molecular Weight181.21 g/mol
Exact Mass181.10
IUPAC NameN-cyclobutyl-5-fluoro-6-methylpyrimidin-4-amine
SMILESCc1ncnc(NC2CCC2)c1F
InChIInChI=1S/C9H12FN3/c1-6-8(10)9(12-5-11-6)13-7-3-2-4-7/h5,7H,2-4H2,1H3,(H,11,12,13)
InChIKeyKWVOQSYJEWDWIR-UHFFFAOYSA-N
XLogP1.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-6-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine
CID 103765115
N-(2-cyclobutylethyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 103748708
5-fluoro-6-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine
CID 103760464
5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-methylpyrimidin-4-amine
CID 113253015
6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 19153951
N-cyclobutyl-6-methylpyrimidin-4-amine
CID 62416944
5-fluoro-6-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 103634945
6-ethyl-5-fluoro-N-(4-piperidin-1-ylcyclohexyl)pyrimidin-4-amine
CID 133418990
6-hydrazinyl-5-methyl-N-(3-methylcyclohexyl)pyrimidin-4-amine
CID 80894250
N-cyclohexyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 712429
4-N-cyclobutyl-5-ethylpyrimidine-4,6-diamine
CID 80827503
N-[1-(chloromethyl)-4-methylcyclohexyl]-5-fluoro-6-methylpyrimidin-4-amine
CID 114045846

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-5-fluoro-6-methylpyrimidin-4-amine?
The IUPAC name of N-cyclobutyl-5-fluoro-6-methylpyrimidin-4-amine (CID 103650743) is N-cyclobutyl-5-fluoro-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-cyclobutyl-5-fluoro-6-methylpyrimidin-4-amine?
The canonical SMILES for N-cyclobutyl-5-fluoro-6-methylpyrimidin-4-amine is Cc1ncnc(NC2CCC2)c1F.
What is the InChIKey of N-cyclobutyl-5-fluoro-6-methylpyrimidin-4-amine?
The InChIKey is KWVOQSYJEWDWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3/c1-6-8(10)9(12-5-11-6)13-7-3-2-4-7/h5,7H,2-4H2,1H3,(H,11,12,13).
What are the key properties of N-cyclobutyl-5-fluoro-6-methylpyrimidin-4-amine?
N-cyclobutyl-5-fluoro-6-methylpyrimidin-4-amine has a molecular weight of 181.21 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-5-fluoro-6-methylpyrimidin-4-amine is sourced from PubChem (CID 103650743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).