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

C8H12ClN5O2 — CID 11971854

IUPAC1,3-dimethyl-1-(pyrimidin-2-ylcarbamoyl)urea;hydrochloride
SMILESCNC(=O)N(C)C(=O)Nc1ncccn1.Cl
InChIInChI=1S/C8H11N5O2.ClH/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);1H
InChIKeyGXXRYGYRVFKPMM-UHFFFAOYSA-N
MW245.67 g/mol
LogP0.70
Rot. Bonds1

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

1,3-dimethyl-1-(pyrimidin-2-ylcarbamoyl)urea;hydrochloride (PubChem CID 11971854) has the molecular formula C8H12ClN5O2 and a molecular weight of 245.67 g/mol. Its IUPAC name is 1,3-dimethyl-1-(pyrimidin-2-ylcarbamoyl)urea;hydrochloride.

Molecular Properties

Compound Name1,3-dimethyl-1-(pyrimidin-2-ylcarbamoyl)urea;hydrochloride
PubChem CID11971854
Molecular FormulaC8H12ClN5O2
Molecular Weight245.67 g/mol
Exact Mass245.07
IUPAC Name1,3-dimethyl-1-(pyrimidin-2-ylcarbamoyl)urea;hydrochloride
SMILESCNC(=O)N(C)C(=O)Nc1ncccn1.Cl
InChIInChI=1S/C8H11N5O2.ClH/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);1H
InChIKeyGXXRYGYRVFKPMM-UHFFFAOYSA-N
XLogP0.70
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 50.70
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;hydrochloride?
The IUPAC name of 1,3-dimethyl-1-(pyrimidin-2-ylcarbamoyl)urea;hydrochloride (CID 11971854) is 1,3-dimethyl-1-(pyrimidin-2-ylcarbamoyl)urea;hydrochloride.
What is the SMILES notation for 1,3-dimethyl-1-(pyrimidin-2-ylcarbamoyl)urea;hydrochloride?
The canonical SMILES for 1,3-dimethyl-1-(pyrimidin-2-ylcarbamoyl)urea;hydrochloride is CNC(=O)N(C)C(=O)Nc1ncccn1.Cl.
What is the InChIKey of 1,3-dimethyl-1-(pyrimidin-2-ylcarbamoyl)urea;hydrochloride?
The InChIKey is GXXRYGYRVFKPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2.ClH/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);1H.
What are the key properties of 1,3-dimethyl-1-(pyrimidin-2-ylcarbamoyl)urea;hydrochloride?
1,3-dimethyl-1-(pyrimidin-2-ylcarbamoyl)urea;hydrochloride has a molecular weight of 245.67 g/mol, XLogP of 0.70, 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;hydrochloride is sourced from PubChem (CID 11971854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).