methyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate;urea

C8H12N4O4 — CID 175666937

IUPACmethyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate;urea
SMILESCOC(=O)c1cc(C)[nH]c(=O)n1.NC(N)=O
InChIInChI=1S/C7H8N2O3.CH4N2O/c1-4-3-5(6(10)12-2)9-7(11)8-4;2-1(3)4/h3H,1-2H3,(H,8,9,11);(H4,2,3,4)
InChIKeyNROWOQQJQDQBJH-UHFFFAOYSA-N
MW228.21 g/mol
LogP-1.11
Rot. Bonds1

About methyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate;urea

methyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate;urea (PubChem CID 175666937) has the molecular formula C8H12N4O4 and a molecular weight of 228.21 g/mol. Its IUPAC name is methyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate;urea.

Molecular Properties

Compound Namemethyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate;urea
PubChem CID175666937
Molecular FormulaC8H12N4O4
Molecular Weight228.21 g/mol
Exact Mass228.09
IUPAC Namemethyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate;urea
SMILESCOC(=O)c1cc(C)[nH]c(=O)n1.NC(N)=O
InChIInChI=1S/C7H8N2O3.CH4N2O/c1-4-3-5(6(10)12-2)9-7(11)8-4;2-1(3)4/h3H,1-2H3,(H,8,9,11);(H4,2,3,4)
InChIKeyNROWOQQJQDQBJH-UHFFFAOYSA-N
XLogP-1.11
TPSA141.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate;urea?
The IUPAC name of methyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate;urea (CID 175666937) is methyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate;urea.
What is the SMILES notation for methyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate;urea?
The canonical SMILES for methyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate;urea is COC(=O)c1cc(C)[nH]c(=O)n1.NC(N)=O.
What is the InChIKey of methyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate;urea?
The InChIKey is NROWOQQJQDQBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3.CH4N2O/c1-4-3-5(6(10)12-2)9-7(11)8-4;2-1(3)4/h3H,1-2H3,(H,8,9,11);(H4,2,3,4).
What are the key properties of methyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate;urea?
methyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate;urea has a molecular weight of 228.21 g/mol, XLogP of -1.11, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate;urea is sourced from PubChem (CID 175666937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).