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

C16H23N5O2 — CID 90650157

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-tert-butyl-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCCN(Cc1nccn1C)C(=O)c1cc(C(C)(C)C)[nH]c(=O)n1
InChIInChI=1S/C16H23N5O2/c1-6-21(10-13-17-7-8-20(13)5)14(22)11-9-12(16(2,3)4)19-15(23)18-11/h7-9H,6,10H2,1-5H3,(H,18,19,23)
InChIKeyBMUGOQIEADIXFL-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.46
Rot. Bonds4

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

6-tert-butyl-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 90650157) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 6-tert-butyl-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-tert-butyl-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide
PubChem CID90650157
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name6-tert-butyl-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCCN(Cc1nccn1C)C(=O)c1cc(C(C)(C)C)[nH]c(=O)n1
InChIInChI=1S/C16H23N5O2/c1-6-21(10-13-17-7-8-20(13)5)14(22)11-9-12(16(2,3)4)19-15(23)18-11/h7-9H,6,10H2,1-5H3,(H,18,19,23)
InChIKeyBMUGOQIEADIXFL-UHFFFAOYSA-N
XLogP1.46
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of 6-tert-butyl-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide (CID 90650157) is 6-tert-butyl-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 6-tert-butyl-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 6-tert-butyl-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide is CCN(Cc1nccn1C)C(=O)c1cc(C(C)(C)C)[nH]c(=O)n1.
What is the InChIKey of 6-tert-butyl-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is BMUGOQIEADIXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-6-21(10-13-17-7-8-20(13)5)14(22)11-9-12(16(2,3)4)19-15(23)18-11/h7-9H,6,10H2,1-5H3,(H,18,19,23).
What are the key properties of 6-tert-butyl-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide?
6-tert-butyl-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 90650157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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