1-(6-amino-5-fluoropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide

C11H16FN5O — CID 134504167

IUPAC1-(6-amino-5-fluoropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2ncnc(N)c2F)CC1
InChIInChI=1S/C11H16FN5O/c1-14-11(18)7-2-4-17(5-3-7)10-8(12)9(13)15-6-16-10/h6-7H,2-5H2,1H3,(H,14,18)(H2,13,15,16)
InChIKeyWCAGTAAHKNJSLY-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.16
Rot. Bonds2

About 1-(6-amino-5-fluoropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide

1-(6-amino-5-fluoropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide (PubChem CID 134504167) has the molecular formula C11H16FN5O and a molecular weight of 253.28 g/mol. Its IUPAC name is 1-(6-amino-5-fluoropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-amino-5-fluoropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
PubChem CID134504167
Molecular FormulaC11H16FN5O
Molecular Weight253.28 g/mol
Exact Mass253.13
IUPAC Name1-(6-amino-5-fluoropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2ncnc(N)c2F)CC1
InChIInChI=1S/C11H16FN5O/c1-14-11(18)7-2-4-17(5-3-7)10-8(12)9(13)15-6-16-10/h6-7H,2-5H2,1H3,(H,14,18)(H2,13,15,16)
InChIKeyWCAGTAAHKNJSLY-UHFFFAOYSA-N
XLogP0.16
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]cyclopropanecarboxamide
CID 71795033
N-ethyl-3-{1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl}propanamide
CID 53188586
N-propyl-3-{1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl}propanamide
CID 53188722
N-methyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 53189393
1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-(2,2-dimethylpropylamino)piperidin-2-one
CID 67035136
1-[(3R)-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-3-yl]-3-(tert-butylamino)piperidin-2-one
CID 67972594
1-(6-piperidin-1-ylpyrimidin-4-yl)-N-propan-2-ylpiperidine-4-carboxamide
CID 53170493
N-Isopentyl-1-(6-piperidino-4-pyrimidinyl)-4-piperidinecarboxamide
CID 53170494
1-[6-(Piperidin-1-YL)pyrimidin-4-YL]-N-(prop-2-EN-1-YL)piperidine-4-carboxamide
CID 53170495
N-Butyl-1-[6-(piperidin-1-YL)pyrimidin-4-YL]piperidine-4-carboxamide
CID 53170497
N-(cyclopropylmethyl)-1-(6-piperidino-4-pyrimidinyl)-4-piperidinecarboxamide
CID 53170507
3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N,N-dimethylpropanamide
CID 53188498

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5-fluoropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(6-amino-5-fluoropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide (CID 134504167) is 1-(6-amino-5-fluoropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(6-amino-5-fluoropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(6-amino-5-fluoropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(c2ncnc(N)c2F)CC1.
What is the InChIKey of 1-(6-amino-5-fluoropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide?
The InChIKey is WCAGTAAHKNJSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN5O/c1-14-11(18)7-2-4-17(5-3-7)10-8(12)9(13)15-6-16-10/h6-7H,2-5H2,1H3,(H,14,18)(H2,13,15,16).
What are the key properties of 1-(6-amino-5-fluoropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide?
1-(6-amino-5-fluoropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide has a molecular weight of 253.28 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-5-fluoropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 134504167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).