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

C6H10N8O3 — CID 174378208

IUPAC1-amino-1-[2-[amino(carbamoyl)amino]-6-oxo-1H-pyrimidin-4-yl]urea
SMILESNC(=O)N(N)c1cc(=O)[nH]c(N(N)C(N)=O)n1
InChIInChI=1S/C6H10N8O3/c7-4(16)13(9)2-1-3(15)12-6(11-2)14(10)5(8)17/h1H,9-10H2,(H2,7,16)(H2,8,17)(H,11,12,15)
InChIKeyACJSSGPJRCPRIP-UHFFFAOYSA-N
MW242.20 g/mol
LogP-2.71
Rot. Bonds2

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

1-amino-1-[2-[amino(carbamoyl)amino]-6-oxo-1H-pyrimidin-4-yl]urea (PubChem CID 174378208) has the molecular formula C6H10N8O3 and a molecular weight of 242.20 g/mol. Its IUPAC name is 1-amino-1-[2-[amino(carbamoyl)amino]-6-oxo-1H-pyrimidin-4-yl]urea.

Molecular Properties

Compound Name1-amino-1-[2-[amino(carbamoyl)amino]-6-oxo-1H-pyrimidin-4-yl]urea
PubChem CID174378208
Molecular FormulaC6H10N8O3
Molecular Weight242.20 g/mol
Exact Mass242.09
IUPAC Name1-amino-1-[2-[amino(carbamoyl)amino]-6-oxo-1H-pyrimidin-4-yl]urea
SMILESNC(=O)N(N)c1cc(=O)[nH]c(N(N)C(N)=O)n1
InChIInChI=1S/C6H10N8O3/c7-4(16)13(9)2-1-3(15)12-6(11-2)14(10)5(8)17/h1H,9-10H2,(H2,7,16)(H2,8,17)(H,11,12,15)
InChIKeyACJSSGPJRCPRIP-UHFFFAOYSA-N
XLogP-2.71
TPSA190.45 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 5-2.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[2-[amino(carbamoyl)amino]-6-oxo-1H-pyrimidin-4-yl]urea?
The IUPAC name of 1-amino-1-[2-[amino(carbamoyl)amino]-6-oxo-1H-pyrimidin-4-yl]urea (CID 174378208) is 1-amino-1-[2-[amino(carbamoyl)amino]-6-oxo-1H-pyrimidin-4-yl]urea.
What is the SMILES notation for 1-amino-1-[2-[amino(carbamoyl)amino]-6-oxo-1H-pyrimidin-4-yl]urea?
The canonical SMILES for 1-amino-1-[2-[amino(carbamoyl)amino]-6-oxo-1H-pyrimidin-4-yl]urea is NC(=O)N(N)c1cc(=O)[nH]c(N(N)C(N)=O)n1.
What is the InChIKey of 1-amino-1-[2-[amino(carbamoyl)amino]-6-oxo-1H-pyrimidin-4-yl]urea?
The InChIKey is ACJSSGPJRCPRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N8O3/c7-4(16)13(9)2-1-3(15)12-6(11-2)14(10)5(8)17/h1H,9-10H2,(H2,7,16)(H2,8,17)(H,11,12,15).
What are the key properties of 1-amino-1-[2-[amino(carbamoyl)amino]-6-oxo-1H-pyrimidin-4-yl]urea?
1-amino-1-[2-[amino(carbamoyl)amino]-6-oxo-1H-pyrimidin-4-yl]urea has a molecular weight of 242.20 g/mol, XLogP of -2.71, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[2-[amino(carbamoyl)amino]-6-oxo-1H-pyrimidin-4-yl]urea is sourced from PubChem (CID 174378208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).