N-[2-amino-4-(methylamino)-6-oxo-1H-pyrimidin-5-yl]formamide

C6H9N5O2 — CID 137270617

IUPACN-[2-amino-4-(methylamino)-6-oxo-1H-pyrimidin-5-yl]formamide
SMILESCNc1nc(N)[nH]c(=O)c1NC=O
InChIInChI=1S/C6H9N5O2/c1-8-4-3(9-2-12)5(13)11-6(7)10-4/h2H,1H3,(H,9,12)(H4,7,8,10,11,13)
InChIKeyZZFOUHBGTCCGCP-UHFFFAOYSA-N
MW183.17 g/mol
LogP-1.04
Rot. Bonds3

About N-[2-amino-4-(methylamino)-6-oxo-1H-pyrimidin-5-yl]formamide

N-[2-amino-4-(methylamino)-6-oxo-1H-pyrimidin-5-yl]formamide (PubChem CID 137270617) has the molecular formula C6H9N5O2 and a molecular weight of 183.17 g/mol. Its IUPAC name is N-[2-amino-4-(methylamino)-6-oxo-1H-pyrimidin-5-yl]formamide.

Molecular Properties

Compound NameN-[2-amino-4-(methylamino)-6-oxo-1H-pyrimidin-5-yl]formamide
PubChem CID137270617
Molecular FormulaC6H9N5O2
Molecular Weight183.17 g/mol
Exact Mass183.08
IUPAC NameN-[2-amino-4-(methylamino)-6-oxo-1H-pyrimidin-5-yl]formamide
SMILESCNc1nc(N)[nH]c(=O)c1NC=O
InChIInChI=1S/C6H9N5O2/c1-8-4-3(9-2-12)5(13)11-6(7)10-4/h2H,1H3,(H,9,12)(H4,7,8,10,11,13)
InChIKeyZZFOUHBGTCCGCP-UHFFFAOYSA-N
XLogP-1.04
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-1.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(methylamino)-6-oxo-1H-pyrimidin-5-yl]formamide?
The IUPAC name of N-[2-amino-4-(methylamino)-6-oxo-1H-pyrimidin-5-yl]formamide (CID 137270617) is N-[2-amino-4-(methylamino)-6-oxo-1H-pyrimidin-5-yl]formamide.
What is the SMILES notation for N-[2-amino-4-(methylamino)-6-oxo-1H-pyrimidin-5-yl]formamide?
The canonical SMILES for N-[2-amino-4-(methylamino)-6-oxo-1H-pyrimidin-5-yl]formamide is CNc1nc(N)[nH]c(=O)c1NC=O.
What is the InChIKey of N-[2-amino-4-(methylamino)-6-oxo-1H-pyrimidin-5-yl]formamide?
The InChIKey is ZZFOUHBGTCCGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O2/c1-8-4-3(9-2-12)5(13)11-6(7)10-4/h2H,1H3,(H,9,12)(H4,7,8,10,11,13).
What are the key properties of N-[2-amino-4-(methylamino)-6-oxo-1H-pyrimidin-5-yl]formamide?
N-[2-amino-4-(methylamino)-6-oxo-1H-pyrimidin-5-yl]formamide has a molecular weight of 183.17 g/mol, XLogP of -1.04, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-(methylamino)-6-oxo-1H-pyrimidin-5-yl]formamide is sourced from PubChem (CID 137270617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).