2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid

C10H14N2O3 — CID 135881426

IUPAC2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)O
InChIInChI=1S/C10H14N2O3/c1-5-6(8(14)15)7(13)12-9(11-5)10(2,3)4/h1-4H3,(H,14,15)(H,11,12,13)
InChIKeyCQQUJYBDIREBBN-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.07
Rot. Bonds1

About 2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid

2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 135881426) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID135881426
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)O
InChIInChI=1S/C10H14N2O3/c1-5-6(8(14)15)7(13)12-9(11-5)10(2,3)4/h1-4H3,(H,14,15)(H,11,12,13)
InChIKeyCQQUJYBDIREBBN-UHFFFAOYSA-N
XLogP1.07
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]propanoic acid
CID 137010242
3-[(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]-4-methylbenzoic acid
CID 137147737
5-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-tert-butyl-4-methyl-1H-pyrimidin-6-one;hydrochloride
CID 137052388
N-(3-aminopropyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 137052613
(2R)-4-(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)morpholine-2-carboxylic acid
CID 137066024
N-(azetidin-3-ylmethyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 137132790
2-tert-butyl-N,4-dimethyl-N-[2-(methylamino)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 137152238
3-[2-[(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]ethyl]benzoic acid
CID 137031899
3-[(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]-5-(methoxymethyl)benzoic acid
CID 137066125
N-(4-aminocyclohexyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride
CID 137146558
N-(3-amino-2,2-difluoropropyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride
CID 137081389
2-[(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]hex-5-enoic acid
CID 137030149

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 135881426) is 2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid is Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)O.
What is the InChIKey of 2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is CQQUJYBDIREBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-5-6(8(14)15)7(13)12-9(11-5)10(2,3)4/h1-4H3,(H,14,15)(H,11,12,13).
What are the key properties of 2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 135881426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).