5-fluoro-N-methyl-4-pyrrolidin-1-ylpyrimidin-2-amine

C9H13FN4 — CID 80766519

IUPAC5-fluoro-N-methyl-4-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCNc1ncc(F)c(N2CCCC2)n1
InChIInChI=1S/C9H13FN4/c1-11-9-12-6-7(10)8(13-9)14-4-2-3-5-14/h6H,2-5H2,1H3,(H,11,12,13)
InChIKeyLPUABAMYFBFLEC-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.26
Rot. Bonds2

About 5-fluoro-N-methyl-4-pyrrolidin-1-ylpyrimidin-2-amine

5-fluoro-N-methyl-4-pyrrolidin-1-ylpyrimidin-2-amine (PubChem CID 80766519) has the molecular formula C9H13FN4 and a molecular weight of 196.23 g/mol. Its IUPAC name is 5-fluoro-N-methyl-4-pyrrolidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-4-pyrrolidin-1-ylpyrimidin-2-amine
PubChem CID80766519
Molecular FormulaC9H13FN4
Molecular Weight196.23 g/mol
Exact Mass196.11
IUPAC Name5-fluoro-N-methyl-4-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCNc1ncc(F)c(N2CCCC2)n1
InChIInChI=1S/C9H13FN4/c1-11-9-12-6-7(10)8(13-9)14-4-2-3-5-14/h6H,2-5H2,1H3,(H,11,12,13)
InChIKeyLPUABAMYFBFLEC-UHFFFAOYSA-N
XLogP1.26
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-2-amine
CID 80823570
4-(azocan-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
CID 80764245
5-chloro-N-methyl-4-piperidin-1-ylpyrimidin-2-amine
CID 80764655
4-(3,4-dimethoxypyrrolidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
CID 103542049
4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione
CID 80856428
4-(4-ethoxypiperidin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
CID 80798443
5-fluoro-N-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-2-amine
CID 113419468
[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 112629584
4-(3-ethyl-4-methylpiperazin-1-yl)-5-fluoro-N-methylpyrimidin-2-amine
CID 80834380
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluoro-N-methylpyrimidin-2-amine
CID 80764971
[5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hydrazine
CID 80927536
[5-fluoro-4-(4-methylazepan-1-yl)pyrimidin-2-yl]hydrazine
CID 80910776

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-4-pyrrolidin-1-ylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-methyl-4-pyrrolidin-1-ylpyrimidin-2-amine (CID 80766519) is 5-fluoro-N-methyl-4-pyrrolidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-methyl-4-pyrrolidin-1-ylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-methyl-4-pyrrolidin-1-ylpyrimidin-2-amine is CNc1ncc(F)c(N2CCCC2)n1.
What is the InChIKey of 5-fluoro-N-methyl-4-pyrrolidin-1-ylpyrimidin-2-amine?
The InChIKey is LPUABAMYFBFLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4/c1-11-9-12-6-7(10)8(13-9)14-4-2-3-5-14/h6H,2-5H2,1H3,(H,11,12,13).
What are the key properties of 5-fluoro-N-methyl-4-pyrrolidin-1-ylpyrimidin-2-amine?
5-fluoro-N-methyl-4-pyrrolidin-1-ylpyrimidin-2-amine has a molecular weight of 196.23 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-4-pyrrolidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 80766519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).