1,3-dimethyl-1-(pyrimidin-2-ylcarbamoyl)urea

C8H11N5O2 — CID 11971855

IUPAC1,3-dimethyl-1-(pyrimidin-2-ylcarbamoyl)urea
SMILESCNC(=O)N(C)C(=O)Nc1ncccn1
InChIInChI=1S/C8H11N5O2/c1-9-7(14)13(2)8(15)12-6-10-4-3-5-11-6/h3-5H,1-2H3,(H,9,14)(H,10,11,12,15)
InChIKeyBRVVNCLZGHBAOV-UHFFFAOYSA-N
MW209.21 g/mol
LogP0.28
Rot. Bonds1

About 1,3-dimethyl-1-(pyrimidin-2-ylcarbamoyl)urea

1,3-dimethyl-1-(pyrimidin-2-ylcarbamoyl)urea (PubChem CID 11971855) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is 1,3-dimethyl-1-(pyrimidin-2-ylcarbamoyl)urea.

Molecular Properties

Compound Name1,3-dimethyl-1-(pyrimidin-2-ylcarbamoyl)urea
PubChem CID11971855
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name1,3-dimethyl-1-(pyrimidin-2-ylcarbamoyl)urea
SMILESCNC(=O)N(C)C(=O)Nc1ncccn1
InChIInChI=1S/C8H11N5O2/c1-9-7(14)13(2)8(15)12-6-10-4-3-5-11-6/h3-5H,1-2H3,(H,9,14)(H,10,11,12,15)
InChIKeyBRVVNCLZGHBAOV-UHFFFAOYSA-N
XLogP0.28
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-(pyrimidin-2-ylcarbamoyl)urea?
The IUPAC name of 1,3-dimethyl-1-(pyrimidin-2-ylcarbamoyl)urea (CID 11971855) is 1,3-dimethyl-1-(pyrimidin-2-ylcarbamoyl)urea.
What is the SMILES notation for 1,3-dimethyl-1-(pyrimidin-2-ylcarbamoyl)urea?
The canonical SMILES for 1,3-dimethyl-1-(pyrimidin-2-ylcarbamoyl)urea is CNC(=O)N(C)C(=O)Nc1ncccn1.
What is the InChIKey of 1,3-dimethyl-1-(pyrimidin-2-ylcarbamoyl)urea?
The InChIKey is BRVVNCLZGHBAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2/c1-9-7(14)13(2)8(15)12-6-10-4-3-5-11-6/h3-5H,1-2H3,(H,9,14)(H,10,11,12,15).
What are the key properties of 1,3-dimethyl-1-(pyrimidin-2-ylcarbamoyl)urea?
1,3-dimethyl-1-(pyrimidin-2-ylcarbamoyl)urea has a molecular weight of 209.21 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-(pyrimidin-2-ylcarbamoyl)urea is sourced from PubChem (CID 11971855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).