5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyrimidin-2-amine

C11H16FN3O — CID 103826199

IUPAC5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyrimidin-2-amine
SMILESCOC1CC(Nc2ncc(F)cn2)C1(C)C
InChIInChI=1S/C11H16FN3O/c1-11(2)8(4-9(11)16-3)15-10-13-5-7(12)6-14-10/h5-6,8-9H,4H2,1-3H3,(H,13,14,15)
InChIKeyRPHKZXNXQRXXKA-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.84
Rot. Bonds3

About 5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyrimidin-2-amine

5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyrimidin-2-amine (PubChem CID 103826199) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyrimidin-2-amine
PubChem CID103826199
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyrimidin-2-amine
SMILESCOC1CC(Nc2ncc(F)cn2)C1(C)C
InChIInChI=1S/C11H16FN3O/c1-11(2)8(4-9(11)16-3)15-10-13-5-7(12)6-14-10/h5-6,8-9H,4H2,1-3H3,(H,13,14,15)
InChIKeyRPHKZXNXQRXXKA-UHFFFAOYSA-N
XLogP1.84
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-methylpyrimidin-4-amine
CID 113253015
3-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridin-2-amine
CID 103742729
2-N-(3-methoxy-2,2-dimethylcyclobutyl)-5-methylpyridine-2,3-diamine
CID 114118689
4-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-N-methylpyrimidine-4,6-diamine
CID 114121036
N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 103788436
N-(3-methoxy-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)pyridin-2-amine
CID 103742782
5-bromo-4-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-N-methylpyrimidine-4,6-diamine
CID 114121042
N-(3-methoxy-2,2-dimethylcyclobutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103742766
6-chloro-2-N-(3-methoxy-2,2-dimethylcyclobutyl)-1,3,5-triazine-2,4-diamine
CID 114121040
3-methoxy-N,2,2-trimethylcyclobutan-1-amine
CID 66357766
5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-nitroaniline
CID 107302345
2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-4-carbonitrile
CID 114119313

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyrimidin-2-amine (CID 103826199) is 5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyrimidin-2-amine is COC1CC(Nc2ncc(F)cn2)C1(C)C.
What is the InChIKey of 5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyrimidin-2-amine?
The InChIKey is RPHKZXNXQRXXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-11(2)8(4-9(11)16-3)15-10-13-5-7(12)6-14-10/h5-6,8-9H,4H2,1-3H3,(H,13,14,15).
What are the key properties of 5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyrimidin-2-amine?
5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyrimidin-2-amine has a molecular weight of 225.27 g/mol, XLogP of 1.84, 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)pyrimidin-2-amine is sourced from PubChem (CID 103826199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).