6-tert-butyl-N-[(1-methylpiperidin-2-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide

C16H26N4O2 — CID 86286362

IUPAC6-tert-butyl-N-[(1-methylpiperidin-2-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCN1CCCCC1CNC(=O)c1cc(C(C)(C)C)[nH]c(=O)n1
InChIInChI=1S/C16H26N4O2/c1-16(2,3)13-9-12(18-15(22)19-13)14(21)17-10-11-7-5-6-8-20(11)4/h9,11H,5-8,10H2,1-4H3,(H,17,21)(H,18,19,22)
InChIKeyIDBMZQVOUBJGRZ-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.28
Rot. Bonds3

About 6-tert-butyl-N-[(1-methylpiperidin-2-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide

6-tert-butyl-N-[(1-methylpiperidin-2-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 86286362) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 6-tert-butyl-N-[(1-methylpiperidin-2-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-tert-butyl-N-[(1-methylpiperidin-2-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide
PubChem CID86286362
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name6-tert-butyl-N-[(1-methylpiperidin-2-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCN1CCCCC1CNC(=O)c1cc(C(C)(C)C)[nH]c(=O)n1
InChIInChI=1S/C16H26N4O2/c1-16(2,3)13-9-12(18-15(22)19-13)14(21)17-10-11-7-5-6-8-20(11)4/h9,11H,5-8,10H2,1-4H3,(H,17,21)(H,18,19,22)
InChIKeyIDBMZQVOUBJGRZ-UHFFFAOYSA-N
XLogP1.28
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

US11787802, Example 23
CID 169489604
US11787802, Example 29
CID 169489608
US11787802, Example 86
CID 169489654
6-tert-butyl-N-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide
CID 99970992
4-tert-butyl-6-{[(1S*,5R*)-3-methyl-3,6-diazabicyclo[3.2.2]non-6-yl]carbonyl}-2(1H)-pyrimidinone
CID 133111368
6-tert-butyl-N-(1-isopropylpiperidin-4-yl)-2-oxo-2,3-dihydropyrimidine-4-carboxamide
CID 90647828
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]acetamide
CID 9405707
N-cyclohexyl-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide
CID 46304534
3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 46990107
1-(2-{[3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)propanoyl]amino}ethyl)piperidine-3-carboxamide
CID 46993557
N-cycloheptyl-N'-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]succinamide
CID 46995237
N-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]-1-isopropylpiperidine-4-carboxamide
CID 50956693

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[(1-methylpiperidin-2-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of 6-tert-butyl-N-[(1-methylpiperidin-2-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide (CID 86286362) is 6-tert-butyl-N-[(1-methylpiperidin-2-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 6-tert-butyl-N-[(1-methylpiperidin-2-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 6-tert-butyl-N-[(1-methylpiperidin-2-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide is CN1CCCCC1CNC(=O)c1cc(C(C)(C)C)[nH]c(=O)n1.
What is the InChIKey of 6-tert-butyl-N-[(1-methylpiperidin-2-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is IDBMZQVOUBJGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-16(2,3)13-9-12(18-15(22)19-13)14(21)17-10-11-7-5-6-8-20(11)4/h9,11H,5-8,10H2,1-4H3,(H,17,21)(H,18,19,22).
What are the key properties of 6-tert-butyl-N-[(1-methylpiperidin-2-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide?
6-tert-butyl-N-[(1-methylpiperidin-2-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-[(1-methylpiperidin-2-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 86286362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).