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

C8H13N3O3 — CID 160586980

IUPAC(1,4,5-trimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamic acid
SMILESCC1N=C(NC(=O)O)N(C)C(=O)C1C
InChIInChI=1S/C8H13N3O3/c1-4-5(2)9-7(10-8(13)14)11(3)6(4)12/h4-5H,1-3H3,(H,9,10)(H,13,14)
InChIKeyRCNCQPXFLHZWQA-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.11
Rot. Bonds

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

(1,4,5-trimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamic acid (PubChem CID 160586980) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is (1,4,5-trimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamic acid.

Molecular Properties

Compound Name(1,4,5-trimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamic acid
PubChem CID160586980
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name(1,4,5-trimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamic acid
SMILESCC1N=C(NC(=O)O)N(C)C(=O)C1C
InChIInChI=1S/C8H13N3O3/c1-4-5(2)9-7(10-8(13)14)11(3)6(4)12/h4-5H,1-3H3,(H,9,10)(H,13,14)
InChIKeyRCNCQPXFLHZWQA-UHFFFAOYSA-N
XLogP0.11
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dimethyl-6-oxo-tetrahydropyrimidin-2(1H)-ylidenecarbamate
CID 131731836
tert-butyl N-[(4S)-1,4-dimethyl-6-oxo-4,5-dihydropyrimidin-2-yl]carbamate
CID 163649750
(1,4-Dimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamic acid
CID 131731837

Frequently Asked Questions

What is the IUPAC name of (1,4,5-trimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamic acid?
The IUPAC name of (1,4,5-trimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamic acid (CID 160586980) is (1,4,5-trimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamic acid.
What is the SMILES notation for (1,4,5-trimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamic acid?
The canonical SMILES for (1,4,5-trimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamic acid is CC1N=C(NC(=O)O)N(C)C(=O)C1C.
What is the InChIKey of (1,4,5-trimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamic acid?
The InChIKey is RCNCQPXFLHZWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-4-5(2)9-7(10-8(13)14)11(3)6(4)12/h4-5H,1-3H3,(H,9,10)(H,13,14).
What are the key properties of (1,4,5-trimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamic acid?
(1,4,5-trimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamic acid has a molecular weight of 199.21 g/mol, XLogP of 0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4,5-trimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamic acid is sourced from PubChem (CID 160586980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).