1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide

C12H18FN5O — CID 80806637

IUPAC1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide
SMILESCNc1ncc(F)c(N2CC(C(N)=O)CCC2C)n1
InChIInChI=1S/C12H18FN5O/c1-7-3-4-8(10(14)19)6-18(7)11-9(13)5-16-12(15-2)17-11/h5,7-8H,3-4,6H2,1-2H3,(H2,14,19)(H,15,16,17)
InChIKeyXBALSZDBJCXTEJ-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.75
Rot. Bonds3

About 1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide

1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide (PubChem CID 80806637) has the molecular formula C12H18FN5O and a molecular weight of 267.31 g/mol. Its IUPAC name is 1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide
PubChem CID80806637
Molecular FormulaC12H18FN5O
Molecular Weight267.31 g/mol
Exact Mass267.15
IUPAC Name1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide
SMILESCNc1ncc(F)c(N2CC(C(N)=O)CCC2C)n1
InChIInChI=1S/C12H18FN5O/c1-7-3-4-8(10(14)19)6-18(7)11-9(13)5-16-12(15-2)17-11/h5,7-8H,3-4,6H2,1-2H3,(H2,14,19)(H,15,16,17)
InChIKeyXBALSZDBJCXTEJ-UHFFFAOYSA-N
XLogP0.75
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide
CID 80961032
1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)piperidine-3-carboxamide
CID 80918438
1-(3-amino-6-methyl-2-pyridinyl)-6-methylpiperidine-3-carboxamide
CID 81131851
5-fluoro-N-methyl-4-(3-methylthiomorpholin-4-yl)pyrimidin-2-amine
CID 80836377
1-[2,6-difluoro-4-(methylaminomethyl)phenyl]-6-methylpiperidine-3-carboxamide
CID 63076453
1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 80754662
5-bromo-4-(2,5-dimethylpiperidin-1-yl)-N-methylpyrimidin-2-amine
CID 80847335
1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidine-4-carboxamide
CID 80754583
1-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-6-methylpiperidine-3-carboxamide
CID 102761835
5-fluoro-N-methyl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 80766519
4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione
CID 80851301
1-(4-amino-2-fluorophenyl)-6-methylpiperidine-3-carboxamide
CID 54989494

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide (CID 80806637) is 1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide is CNc1ncc(F)c(N2CC(C(N)=O)CCC2C)n1.
What is the InChIKey of 1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide?
The InChIKey is XBALSZDBJCXTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN5O/c1-7-3-4-8(10(14)19)6-18(7)11-9(13)5-16-12(15-2)17-11/h5,7-8H,3-4,6H2,1-2H3,(H2,14,19)(H,15,16,17).
What are the key properties of 1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide?
1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide has a molecular weight of 267.31 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 80806637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).