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

C12H18FN5O — CID 134504088

IUPAC1-(6-amino-5-fluoropyrimidin-4-yl)-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(c2ncnc(N)c2F)CC1
InChIInChI=1S/C12H18FN5O/c1-17(2)12(19)8-3-5-18(6-4-8)11-9(13)10(14)15-7-16-11/h7-8H,3-6H2,1-2H3,(H2,14,15,16)
InChIKeyGFVKDCJFGVVWLH-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.50
Rot. Bonds2

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

1-(6-amino-5-fluoropyrimidin-4-yl)-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 134504088) has the molecular formula C12H18FN5O and a molecular weight of 267.31 g/mol. Its IUPAC name is 1-(6-amino-5-fluoropyrimidin-4-yl)-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-amino-5-fluoropyrimidin-4-yl)-N,N-dimethylpiperidine-4-carboxamide
PubChem CID134504088
Molecular FormulaC12H18FN5O
Molecular Weight267.31 g/mol
Exact Mass267.15
IUPAC Name1-(6-amino-5-fluoropyrimidin-4-yl)-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(c2ncnc(N)c2F)CC1
InChIInChI=1S/C12H18FN5O/c1-17(2)12(19)8-3-5-18(6-4-8)11-9(13)10(14)15-7-16-11/h7-8H,3-6H2,1-2H3,(H2,14,15,16)
InChIKeyGFVKDCJFGVVWLH-UHFFFAOYSA-N
XLogP0.50
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[6-(Dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 155515923
N-({1-[4-(dimethylamino)-5-fluoro-2-pyrimidinyl]-4-piperidinyl}methyl)acetamide
CID 72926021
N-((1-(5-fluoropyrimidin-2-yl)piperidin-4-yl)methyl)pivalamide
CID 91814074
N-[1-[1-(6-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]ethyl]acetamide
CID 119035683
1-[3-({6-[Ethyl(methyl)amino]pyrimidin-4-yl}amino)propyl]piperidine-4-carboxamide
CID 134709453
1-[[1-(5-Fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyrrolidin-2-one
CID 14554099
[1-(2-Amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]methylurea
CID 70976744
2-[1-(2-Amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]acetamide
CID 70976813
1-(2-Amino-5-fluoropyrimidin-4-yl)piperidine-3-carboxamide
CID 70976895
1-[(3R,4R)-3-amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]ethanone
CID 118133829
1-[3-Amino-1-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]ethanone
CID 118133834
1-(6-Amino-5-fluoropyrimidin-4-yl)-3-(3-amino-2-oxopiperidin-1-yl)piperidine-4-carboxamide
CID 123719506

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5-fluoropyrimidin-4-yl)-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-(6-amino-5-fluoropyrimidin-4-yl)-N,N-dimethylpiperidine-4-carboxamide (CID 134504088) is 1-(6-amino-5-fluoropyrimidin-4-yl)-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(6-amino-5-fluoropyrimidin-4-yl)-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(6-amino-5-fluoropyrimidin-4-yl)-N,N-dimethylpiperidine-4-carboxamide is CN(C)C(=O)C1CCN(c2ncnc(N)c2F)CC1.
What is the InChIKey of 1-(6-amino-5-fluoropyrimidin-4-yl)-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is GFVKDCJFGVVWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN5O/c1-17(2)12(19)8-3-5-18(6-4-8)11-9(13)10(14)15-7-16-11/h7-8H,3-6H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-(6-amino-5-fluoropyrimidin-4-yl)-N,N-dimethylpiperidine-4-carboxamide?
1-(6-amino-5-fluoropyrimidin-4-yl)-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 267.31 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 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,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 134504088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).