3-(5-amino-6-oxo-1H-pyrimidin-2-yl)-1,1-dimethylurea

C7H11N5O2 — CID 70489330

IUPAC3-(5-amino-6-oxo-1H-pyrimidin-2-yl)-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1ncc(N)c(=O)[nH]1
InChIInChI=1S/C7H11N5O2/c1-12(2)7(14)11-6-9-3-4(8)5(13)10-6/h3H,8H2,1-2H3,(H2,9,10,11,13,14)
InChIKeyCMQOBZUCOLWKSI-UHFFFAOYSA-N
MW197.20 g/mol
LogP-0.55
Rot. Bonds1

About 3-(5-amino-6-oxo-1H-pyrimidin-2-yl)-1,1-dimethylurea

3-(5-amino-6-oxo-1H-pyrimidin-2-yl)-1,1-dimethylurea (PubChem CID 70489330) has the molecular formula C7H11N5O2 and a molecular weight of 197.20 g/mol. Its IUPAC name is 3-(5-amino-6-oxo-1H-pyrimidin-2-yl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(5-amino-6-oxo-1H-pyrimidin-2-yl)-1,1-dimethylurea
PubChem CID70489330
Molecular FormulaC7H11N5O2
Molecular Weight197.20 g/mol
Exact Mass197.09
IUPAC Name3-(5-amino-6-oxo-1H-pyrimidin-2-yl)-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1ncc(N)c(=O)[nH]1
InChIInChI=1S/C7H11N5O2/c1-12(2)7(14)11-6-9-3-4(8)5(13)10-6/h3H,8H2,1-2H3,(H2,9,10,11,13,14)
InChIKeyCMQOBZUCOLWKSI-UHFFFAOYSA-N
XLogP-0.55
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-6-oxo-1H-pyrimidin-2-yl)-1,1-dimethylurea?
The IUPAC name of 3-(5-amino-6-oxo-1H-pyrimidin-2-yl)-1,1-dimethylurea (CID 70489330) is 3-(5-amino-6-oxo-1H-pyrimidin-2-yl)-1,1-dimethylurea.
What is the SMILES notation for 3-(5-amino-6-oxo-1H-pyrimidin-2-yl)-1,1-dimethylurea?
The canonical SMILES for 3-(5-amino-6-oxo-1H-pyrimidin-2-yl)-1,1-dimethylurea is CN(C)C(=O)Nc1ncc(N)c(=O)[nH]1.
What is the InChIKey of 3-(5-amino-6-oxo-1H-pyrimidin-2-yl)-1,1-dimethylurea?
The InChIKey is CMQOBZUCOLWKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O2/c1-12(2)7(14)11-6-9-3-4(8)5(13)10-6/h3H,8H2,1-2H3,(H2,9,10,11,13,14).
What are the key properties of 3-(5-amino-6-oxo-1H-pyrimidin-2-yl)-1,1-dimethylurea?
3-(5-amino-6-oxo-1H-pyrimidin-2-yl)-1,1-dimethylurea has a molecular weight of 197.20 g/mol, XLogP of -0.55, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-6-oxo-1H-pyrimidin-2-yl)-1,1-dimethylurea is sourced from PubChem (CID 70489330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).