[5-(methylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea

C6H11N5O2 — CID 10607569

IUPAC[5-(methylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea
SMILESCNC1CN=C(NC(N)=O)NC1=O
InChIInChI=1S/C6H11N5O2/c1-8-3-2-9-6(10-4(3)12)11-5(7)13/h3,8H,2H2,1H3,(H4,7,9,10,11,12,13)
InChIKeyYZYUOXBMEKWXLI-UHFFFAOYSA-N
MW185.19 g/mol
LogP-2.27
Rot. Bonds1

About [5-(methylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea

[5-(methylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea (PubChem CID 10607569) has the molecular formula C6H11N5O2 and a molecular weight of 185.19 g/mol. Its IUPAC name is [5-(methylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea.

Molecular Properties

Compound Name[5-(methylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea
PubChem CID10607569
Molecular FormulaC6H11N5O2
Molecular Weight185.19 g/mol
Exact Mass185.09
IUPAC Name[5-(methylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea
SMILESCNC1CN=C(NC(N)=O)NC1=O
InChIInChI=1S/C6H11N5O2/c1-8-3-2-9-6(10-4(3)12)11-5(7)13/h3,8H,2H2,1H3,(H4,7,9,10,11,12,13)
InChIKeyYZYUOXBMEKWXLI-UHFFFAOYSA-N
XLogP-2.27
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 5-2.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(methylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea?
The IUPAC name of [5-(methylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea (CID 10607569) is [5-(methylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea.
What is the SMILES notation for [5-(methylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea?
The canonical SMILES for [5-(methylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea is CNC1CN=C(NC(N)=O)NC1=O.
What is the InChIKey of [5-(methylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea?
The InChIKey is YZYUOXBMEKWXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O2/c1-8-3-2-9-6(10-4(3)12)11-5(7)13/h3,8H,2H2,1H3,(H4,7,9,10,11,12,13).
What are the key properties of [5-(methylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea?
[5-(methylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea has a molecular weight of 185.19 g/mol, XLogP of -2.27, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]urea is sourced from PubChem (CID 10607569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).