[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]urea

C6H9N5O2 — CID 137232321

IUPAC[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]urea
SMILESCc1cc(=O)[nH]c(NNC(N)=O)n1
InChIInChI=1S/C6H9N5O2/c1-3-2-4(12)9-6(8-3)11-10-5(7)13/h2H,1H3,(H3,7,10,13)(H2,8,9,11,12)
InChIKeyWYHPJBBZADCFBQ-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.93
Rot. Bonds2

About [(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]urea

[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]urea (PubChem CID 137232321) has the molecular formula C6H9N5O2 and a molecular weight of 183.17 g/mol. Its IUPAC name is [(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]urea.

Molecular Properties

Compound Name[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]urea
PubChem CID137232321
Molecular FormulaC6H9N5O2
Molecular Weight183.17 g/mol
Exact Mass183.08
IUPAC Name[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]urea
SMILESCc1cc(=O)[nH]c(NNC(N)=O)n1
InChIInChI=1S/C6H9N5O2/c1-3-2-4(12)9-6(8-3)11-10-5(7)13/h2H,1H3,(H3,7,10,13)(H2,8,9,11,12)
InChIKeyWYHPJBBZADCFBQ-UHFFFAOYSA-N
XLogP-0.93
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 ≤ 5-0.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]urea?
The IUPAC name of [(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]urea (CID 137232321) is [(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]urea.
What is the SMILES notation for [(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]urea?
The canonical SMILES for [(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]urea is Cc1cc(=O)[nH]c(NNC(N)=O)n1.
What is the InChIKey of [(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]urea?
The InChIKey is WYHPJBBZADCFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O2/c1-3-2-4(12)9-6(8-3)11-10-5(7)13/h2H,1H3,(H3,7,10,13)(H2,8,9,11,12).
What are the key properties of [(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]urea?
[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]urea has a molecular weight of 183.17 g/mol, XLogP of -0.93, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]urea is sourced from PubChem (CID 137232321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).