1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N,3-dimethylpiperidine-3-carboxamide

C15H25N5O — CID 110249082

IUPAC1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N,3-dimethylpiperidine-3-carboxamide
SMILESCNC(=O)C1(C)CCCN(Cc2cnc(N(C)C)nc2)C1
InChIInChI=1S/C15H25N5O/c1-15(13(21)16-2)6-5-7-20(11-15)10-12-8-17-14(18-9-12)19(3)4/h8-9H,5-7,10-11H2,1-4H3,(H,16,21)
InChIKeyTXQQYRRRVFJBJS-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.89
Rot. Bonds4

About 1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N,3-dimethylpiperidine-3-carboxamide

1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N,3-dimethylpiperidine-3-carboxamide (PubChem CID 110249082) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N,3-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N,3-dimethylpiperidine-3-carboxamide
PubChem CID110249082
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N,3-dimethylpiperidine-3-carboxamide
SMILESCNC(=O)C1(C)CCCN(Cc2cnc(N(C)C)nc2)C1
InChIInChI=1S/C15H25N5O/c1-15(13(21)16-2)6-5-7-20(11-15)10-12-8-17-14(18-9-12)19(3)4/h8-9H,5-7,10-11H2,1-4H3,(H,16,21)
InChIKeyTXQQYRRRVFJBJS-UHFFFAOYSA-N
XLogP0.89
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-methylpiperidine-3-carboxamide
CID 110249083
N,3-dimethyl-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
CID 110249101
3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 104823891
(3R)-N,N,3-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 95815538
(3S)-N,N,3-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 95815537
1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-(hydroxymethyl)pyrrolidin-3-ol
CID 77089256
(4R)-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-4-(hydroxymethyl)azepan-4-ol
CID 99937329
1-[(5-chloropyrazin-2-yl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 114172807
(3R)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-ethylpiperidine-3-carboxylic acid
CID 97123703
(3S)-N,N,3-trimethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 124989292
1-[[4-(hydrazinecarbonyl)phenyl]methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322065
1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137019

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N,3-dimethylpiperidine-3-carboxamide?
The IUPAC name of 1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N,3-dimethylpiperidine-3-carboxamide (CID 110249082) is 1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N,3-dimethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N,3-dimethylpiperidine-3-carboxamide?
The canonical SMILES for 1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N,3-dimethylpiperidine-3-carboxamide is CNC(=O)C1(C)CCCN(Cc2cnc(N(C)C)nc2)C1.
What is the InChIKey of 1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N,3-dimethylpiperidine-3-carboxamide?
The InChIKey is TXQQYRRRVFJBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-15(13(21)16-2)6-5-7-20(11-15)10-12-8-17-14(18-9-12)19(3)4/h8-9H,5-7,10-11H2,1-4H3,(H,16,21).
What are the key properties of 1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N,3-dimethylpiperidine-3-carboxamide?
1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N,3-dimethylpiperidine-3-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N,3-dimethylpiperidine-3-carboxamide is sourced from PubChem (CID 110249082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).