2-tert-butyl-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide

C18H30N4O3 — CID 70725285

IUPAC2-tert-butyl-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCOCCN(C(=O)c1cnc(C(C)(C)C)[nH]c1=O)C1CCN(C)CC1
InChIInChI=1S/C18H30N4O3/c1-18(2,3)17-19-12-14(15(23)20-17)16(24)22(10-11-25-5)13-6-8-21(4)9-7-13/h12-13H,6-11H2,1-5H3,(H,19,20,23)
InChIKeyDTLSJRJVPSFPIO-UHFFFAOYSA-N
MW350.46 g/mol
LogP1.25
Rot. Bonds5

About 2-tert-butyl-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide

2-tert-butyl-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 70725285) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-tert-butyl-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID70725285
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name2-tert-butyl-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCOCCN(C(=O)c1cnc(C(C)(C)C)[nH]c1=O)C1CCN(C)CC1
InChIInChI=1S/C18H30N4O3/c1-18(2,3)17-19-12-14(15(23)20-17)16(24)22(10-11-25-5)13-6-8-21(4)9-7-13/h12-13H,6-11H2,1-5H3,(H,19,20,23)
InChIKeyDTLSJRJVPSFPIO-UHFFFAOYSA-N
XLogP1.25
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-({4-[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]-1-piperidinyl}carbonyl)-2-methyl-4(3H)-pyrimidinone
CID 56901759
2-tert-butyl-5-[4-(3-methoxypropyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 70733974
2-Tert-butyl-5-{[4-(tetrahydrofuran-2-ylmethyl)piperazin-1-yl]carbonyl}pyrimidin-4-ol
CID 70786089
4-hydroxy-2-methyl-N-[1-(morpholin-4-ylcarbonyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 72909134
N-(5-morpholin-4-ylpentyl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 91775144
2-isopropyl-5-{[4-(2-methoxyethyl)piperazin-1-yl]carbonyl}pyrimidin-4(3H)-one
CID 91839408
2-tert-butyl-5-[4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 97155165
2-tert-butyl-5-[4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 97155166
3-N-(2-methoxyethyl)-2-oxo-1-N'-propan-2-ylspiro[6,7-dihydropyrrolo[1,2-a]pyrimidine-8,4'-piperidine]-1',3-dicarboxamide
CID 124227283

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 70725285) is 2-tert-butyl-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide is COCCN(C(=O)c1cnc(C(C)(C)C)[nH]c1=O)C1CCN(C)CC1.
What is the InChIKey of 2-tert-butyl-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is DTLSJRJVPSFPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-18(2,3)17-19-12-14(15(23)20-17)16(24)22(10-11-25-5)13-6-8-21(4)9-7-13/h12-13H,6-11H2,1-5H3,(H,19,20,23).
What are the key properties of 2-tert-butyl-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
2-tert-butyl-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70725285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).