(1,4-dimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamic acid

C7H11N3O3 — CID 131731837

IUPAC(1,4-dimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamic acid
SMILESCC1CC(=O)N(C)C(NC(=O)O)=N1
InChIInChI=1S/C7H11N3O3/c1-4-3-5(11)10(2)6(8-4)9-7(12)13/h4H,3H2,1-2H3,(H,8,9)(H,12,13)
InChIKeyAXONEFXRIBFKHW-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.14
Rot. Bonds

About (1,4-dimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamic acid

(1,4-dimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamic acid (PubChem CID 131731837) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is (1,4-dimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamic acid.

Molecular Properties

Compound Name(1,4-dimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamic acid
PubChem CID131731837
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name(1,4-dimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamic acid
SMILESCC1CC(=O)N(C)C(NC(=O)O)=N1
InChIInChI=1S/C7H11N3O3/c1-4-3-5(11)10(2)6(8-4)9-7(12)13/h4H,3H2,1-2H3,(H,8,9)(H,12,13)
InChIKeyAXONEFXRIBFKHW-UHFFFAOYSA-N
XLogP-0.14
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one
CID 70142751
2-Amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one
CID 77783757
1,4-dimethyl-6-oxo-tetrahydropyrimidin-2(1H)-ylidenecarbamate
CID 131731836
(1,4,5-Trimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamic acid
CID 160586980
tert-butyl N-[(4S)-1,4-dimethyl-6-oxo-4,5-dihydropyrimidin-2-yl]carbamate
CID 163649750

Frequently Asked Questions

What is the IUPAC name of (1,4-dimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamic acid?
The IUPAC name of (1,4-dimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamic acid (CID 131731837) is (1,4-dimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamic acid.
What is the SMILES notation for (1,4-dimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamic acid?
The canonical SMILES for (1,4-dimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamic acid is CC1CC(=O)N(C)C(NC(=O)O)=N1.
What is the InChIKey of (1,4-dimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamic acid?
The InChIKey is AXONEFXRIBFKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-4-3-5(11)10(2)6(8-4)9-7(12)13/h4H,3H2,1-2H3,(H,8,9)(H,12,13).
What are the key properties of (1,4-dimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamic acid?
(1,4-dimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamic acid has a molecular weight of 185.18 g/mol, XLogP of -0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamic acid is sourced from PubChem (CID 131731837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).