N-tert-butyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C10H15N3O2 — CID 110855428

IUPACN-tert-butyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C10H15N3O2/c1-6-11-5-7(8(14)12-6)9(15)13-10(2,3)4/h5H,1-4H3,(H,13,15)(H,11,12,14)
InChIKeyLLKHHDKBIHTAEA-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.61
Rot. Bonds1

About N-tert-butyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

N-tert-butyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 110855428) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID110855428
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-tert-butyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C10H15N3O2/c1-6-11-5-7(8(14)12-6)9(15)13-10(2,3)4/h5H,1-4H3,(H,13,15)(H,11,12,14)
InChIKeyLLKHHDKBIHTAEA-UHFFFAOYSA-N
XLogP0.61
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-tert-butyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 110855428) is N-tert-butyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-tert-butyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-tert-butyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is Cc1ncc(C(=O)NC(C)(C)C)c(=O)[nH]1.
What is the InChIKey of N-tert-butyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is LLKHHDKBIHTAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6-11-5-7(8(14)12-6)9(15)13-10(2,3)4/h5H,1-4H3,(H,13,15)(H,11,12,14).
What are the key properties of N-tert-butyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-tert-butyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 110855428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).