N-methyl-2,4-dioxo-N-(piperidin-2-ylmethyl)-1H-pyrimidine-6-carboxamide

C12H18N4O3 — CID 106627561

IUPACN-methyl-2,4-dioxo-N-(piperidin-2-ylmethyl)-1H-pyrimidine-6-carboxamide
SMILESCN(CC1CCCCN1)C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H18N4O3/c1-16(7-8-4-2-3-5-13-8)11(18)9-6-10(17)15-12(19)14-9/h6,8,13H,2-5,7H2,1H3,(H2,14,15,17,19)
InChIKeyYSWAZONONFFVOK-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.72
Rot. Bonds3

About N-methyl-2,4-dioxo-N-(piperidin-2-ylmethyl)-1H-pyrimidine-6-carboxamide

N-methyl-2,4-dioxo-N-(piperidin-2-ylmethyl)-1H-pyrimidine-6-carboxamide (PubChem CID 106627561) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-methyl-2,4-dioxo-N-(piperidin-2-ylmethyl)-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-methyl-2,4-dioxo-N-(piperidin-2-ylmethyl)-1H-pyrimidine-6-carboxamide
PubChem CID106627561
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-methyl-2,4-dioxo-N-(piperidin-2-ylmethyl)-1H-pyrimidine-6-carboxamide
SMILESCN(CC1CCCCN1)C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H18N4O3/c1-16(7-8-4-2-3-5-13-8)11(18)9-6-10(17)15-12(19)14-9/h6,8,13H,2-5,7H2,1H3,(H2,14,15,17,19)
InChIKeyYSWAZONONFFVOK-UHFFFAOYSA-N
XLogP-0.72
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dihydroxy-N-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 107705334
N-methyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-carboxamide
CID 106607277
3,5-dichloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607655
N-cyclopropyl-2-oxo-N-(piperidin-2-ylmethyl)-1,3-dihydroimidazole-4-carboxamide
CID 106626866
N-methyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 106627264
3-(dimethylamino)-N-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 106627555
3,4,5-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607828
2,4,6-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607688
N,5-dimethyl-N-(piperidin-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
CID 106627465
2-(4-methoxyphenyl)-N-methyl-N-(piperidin-2-ylmethyl)acetamide
CID 106627189
5-chloro-N-methyl-N-(piperidin-2-ylmethyl)furan-2-carboxamide
CID 106627540
3-bromo-4-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 107956374

Frequently Asked Questions

What is the IUPAC name of N-methyl-2,4-dioxo-N-(piperidin-2-ylmethyl)-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-methyl-2,4-dioxo-N-(piperidin-2-ylmethyl)-1H-pyrimidine-6-carboxamide (CID 106627561) is N-methyl-2,4-dioxo-N-(piperidin-2-ylmethyl)-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-methyl-2,4-dioxo-N-(piperidin-2-ylmethyl)-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-methyl-2,4-dioxo-N-(piperidin-2-ylmethyl)-1H-pyrimidine-6-carboxamide is CN(CC1CCCCN1)C(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-methyl-2,4-dioxo-N-(piperidin-2-ylmethyl)-1H-pyrimidine-6-carboxamide?
The InChIKey is YSWAZONONFFVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-16(7-8-4-2-3-5-13-8)11(18)9-6-10(17)15-12(19)14-9/h6,8,13H,2-5,7H2,1H3,(H2,14,15,17,19).
What are the key properties of N-methyl-2,4-dioxo-N-(piperidin-2-ylmethyl)-1H-pyrimidine-6-carboxamide?
N-methyl-2,4-dioxo-N-(piperidin-2-ylmethyl)-1H-pyrimidine-6-carboxamide has a molecular weight of 266.30 g/mol, XLogP of -0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,4-dioxo-N-(piperidin-2-ylmethyl)-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 106627561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).