5-fluoro-N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-2-amine

C11H17FN4O — CID 80823570

IUPAC5-fluoro-N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-2-amine
SMILESCNc1ncc(F)c(N2CCCOC(C)C2)n1
InChIInChI=1S/C11H17FN4O/c1-8-7-16(4-3-5-17-8)10-9(12)6-14-11(13-2)15-10/h6,8H,3-5,7H2,1-2H3,(H,13,14,15)
InChIKeyFAVBGTAEPYDIQY-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.27
Rot. Bonds2

About 5-fluoro-N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-2-amine

5-fluoro-N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-2-amine (PubChem CID 80823570) has the molecular formula C11H17FN4O and a molecular weight of 240.28 g/mol. Its IUPAC name is 5-fluoro-N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-2-amine
PubChem CID80823570
Molecular FormulaC11H17FN4O
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC Name5-fluoro-N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-2-amine
SMILESCNc1ncc(F)c(N2CCCOC(C)C2)n1
InChIInChI=1S/C11H17FN4O/c1-8-7-16(4-3-5-17-8)10-9(12)6-14-11(13-2)15-10/h6,8H,3-5,7H2,1-2H3,(H,13,14,15)
InChIKeyFAVBGTAEPYDIQY-UHFFFAOYSA-N
XLogP1.27
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-N-methyl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 80766519
N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327467
4-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylmorpholine
CID 79081430
N,6-dimethyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327472
4-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
CID 80834380
5-fluoro-N-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-2-amine
CID 113419468
4-(3,4-dimethoxypyrrolidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
CID 103542049
[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 112629584
4-(3-bromo-5-methyl-2-pyridinyl)-2-methyl-1,4-oxazepane
CID 105367904
4-(5-bromo-2-chloropyrimidin-4-yl)-2-methyl-1,4-oxazepane
CID 79072899
4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione
CID 80856428
N-methyl-4-(2-methylmorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323884

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-2-amine (CID 80823570) is 5-fluoro-N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-2-amine is CNc1ncc(F)c(N2CCCOC(C)C2)n1.
What is the InChIKey of 5-fluoro-N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-2-amine?
The InChIKey is FAVBGTAEPYDIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O/c1-8-7-16(4-3-5-17-8)10-9(12)6-14-11(13-2)15-10/h6,8H,3-5,7H2,1-2H3,(H,13,14,15).
What are the key properties of 5-fluoro-N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-2-amine?
5-fluoro-N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-2-amine has a molecular weight of 240.28 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 80823570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).