5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-methylpyrimidin-4-amine

C12H18FN3O — CID 113253015

IUPAC5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-methylpyrimidin-4-amine
SMILESCOC1CC(Nc2ncnc(C)c2F)C1(C)C
InChIInChI=1S/C12H18FN3O/c1-7-10(13)11(15-6-14-7)16-8-5-9(17-4)12(8,2)3/h6,8-9H,5H2,1-4H3,(H,14,15,16)
InChIKeyGXNFYGXZGZFJHY-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.15
Rot. Bonds3

About 5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-methylpyrimidin-4-amine

5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-methylpyrimidin-4-amine (PubChem CID 113253015) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-methylpyrimidin-4-amine
PubChem CID113253015
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-methylpyrimidin-4-amine
SMILESCOC1CC(Nc2ncnc(C)c2F)C1(C)C
InChIInChI=1S/C12H18FN3O/c1-7-10(13)11(15-6-14-7)16-8-5-9(17-4)12(8,2)3/h6,8-9H,5H2,1-4H3,(H,14,15,16)
InChIKeyGXNFYGXZGZFJHY-UHFFFAOYSA-N
XLogP2.15
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-N-methylpyrimidine-4,6-diamine
CID 114121042
3-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridin-2-amine
CID 103742729
5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyrimidin-2-amine
CID 103826199
N-(3-methoxy-2,2-dimethylcyclobutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103742766
4-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-N-methylpyrimidine-4,6-diamine
CID 114121036
2-N-(3-methoxy-2,2-dimethylcyclobutyl)-5-methylpyridine-2,3-diamine
CID 114118689
N-cyclobutyl-5-fluoro-6-methylpyrimidin-4-amine
CID 103650743
N-(3-methoxy-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)pyridin-2-amine
CID 103742782
5-fluoro-6-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine
CID 103765115
3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1-methylpyrazin-2-one
CID 103742779
N-(3-methoxy-2,2-dimethylcyclobutyl)-5-methyl-3-nitropyridin-2-amine
CID 103742736
5-fluoro-6-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine
CID 103760464

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-methylpyrimidin-4-amine?
The IUPAC name of 5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-methylpyrimidin-4-amine (CID 113253015) is 5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-methylpyrimidin-4-amine is COC1CC(Nc2ncnc(C)c2F)C1(C)C.
What is the InChIKey of 5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-methylpyrimidin-4-amine?
The InChIKey is GXNFYGXZGZFJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-7-10(13)11(15-6-14-7)16-8-5-9(17-4)12(8,2)3/h6,8-9H,5H2,1-4H3,(H,14,15,16).
What are the key properties of 5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-methylpyrimidin-4-amine?
5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-methylpyrimidin-4-amine has a molecular weight of 239.29 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 113253015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).