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

C6H9N5O2 — CID 11194704

IUPAC[5-(methylamino)-6-oxo-1H-pyrimidin-2-yl]urea
SMILESCNc1cnc(NC(N)=O)[nH]c1=O
InChIInChI=1S/C6H9N5O2/c1-8-3-2-9-6(10-4(3)12)11-5(7)13/h2,8H,1H3,(H4,7,9,10,11,12,13)
InChIKeyHANLSMVAFAZYGI-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.70
Rot. Bonds2

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

[5-(methylamino)-6-oxo-1H-pyrimidin-2-yl]urea (PubChem CID 11194704) has the molecular formula C6H9N5O2 and a molecular weight of 183.17 g/mol. Its IUPAC name is [5-(methylamino)-6-oxo-1H-pyrimidin-2-yl]urea.

Molecular Properties

Compound Name[5-(methylamino)-6-oxo-1H-pyrimidin-2-yl]urea
PubChem CID11194704
Molecular FormulaC6H9N5O2
Molecular Weight183.17 g/mol
Exact Mass183.08
IUPAC Name[5-(methylamino)-6-oxo-1H-pyrimidin-2-yl]urea
SMILESCNc1cnc(NC(N)=O)[nH]c1=O
InChIInChI=1S/C6H9N5O2/c1-8-3-2-9-6(10-4(3)12)11-5(7)13/h2,8H,1H3,(H4,7,9,10,11,12,13)
InChIKeyHANLSMVAFAZYGI-UHFFFAOYSA-N
XLogP-0.70
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.70
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-1H-pyrimidin-2-yl]urea?
The IUPAC name of [5-(methylamino)-6-oxo-1H-pyrimidin-2-yl]urea (CID 11194704) is [5-(methylamino)-6-oxo-1H-pyrimidin-2-yl]urea.
What is the SMILES notation for [5-(methylamino)-6-oxo-1H-pyrimidin-2-yl]urea?
The canonical SMILES for [5-(methylamino)-6-oxo-1H-pyrimidin-2-yl]urea is CNc1cnc(NC(N)=O)[nH]c1=O.
What is the InChIKey of [5-(methylamino)-6-oxo-1H-pyrimidin-2-yl]urea?
The InChIKey is HANLSMVAFAZYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O2/c1-8-3-2-9-6(10-4(3)12)11-5(7)13/h2,8H,1H3,(H4,7,9,10,11,12,13).
What are the key properties of [5-(methylamino)-6-oxo-1H-pyrimidin-2-yl]urea?
[5-(methylamino)-6-oxo-1H-pyrimidin-2-yl]urea has a molecular weight of 183.17 g/mol, XLogP of -0.70, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methylamino)-6-oxo-1H-pyrimidin-2-yl]urea is sourced from PubChem (CID 11194704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).