5-fluoro-4-methoxy-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pyrimidin-2-amine

C14H22FN3O — CID 131927817

IUPAC5-fluoro-4-methoxy-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pyrimidin-2-amine
SMILESCOc1nc(NCC2(CC(C)C)CCC2)ncc1F
InChIInChI=1S/C14H22FN3O/c1-10(2)7-14(5-4-6-14)9-17-13-16-8-11(15)12(18-13)19-3/h8,10H,4-7,9H2,1-3H3,(H,16,17,18)
InChIKeyOHIZJWDYHYWVMK-UHFFFAOYSA-N
MW267.35 g/mol
LogP3.25
Rot. Bonds6

About 5-fluoro-4-methoxy-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pyrimidin-2-amine

5-fluoro-4-methoxy-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pyrimidin-2-amine (PubChem CID 131927817) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-methoxy-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pyrimidin-2-amine
PubChem CID131927817
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name5-fluoro-4-methoxy-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pyrimidin-2-amine
SMILESCOc1nc(NCC2(CC(C)C)CCC2)ncc1F
InChIInChI=1S/C14H22FN3O/c1-10(2)7-14(5-4-6-14)9-17-13-16-8-11(15)12(18-13)19-3/h8,10H,4-7,9H2,1-3H3,(H,16,17,18)
InChIKeyOHIZJWDYHYWVMK-UHFFFAOYSA-N
XLogP3.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-methoxy-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pyrimidin-2-amine (CID 131927817) is 5-fluoro-4-methoxy-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-methoxy-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-methoxy-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pyrimidin-2-amine is COc1nc(NCC2(CC(C)C)CCC2)ncc1F.
What is the InChIKey of 5-fluoro-4-methoxy-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pyrimidin-2-amine?
The InChIKey is OHIZJWDYHYWVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-10(2)7-14(5-4-6-14)9-17-13-16-8-11(15)12(18-13)19-3/h8,10H,4-7,9H2,1-3H3,(H,16,17,18).
What are the key properties of 5-fluoro-4-methoxy-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pyrimidin-2-amine?
5-fluoro-4-methoxy-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pyrimidin-2-amine has a molecular weight of 267.35 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 131927817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).