2-amino-4-(methylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde

C6H8N4O2 — CID 135987608

IUPAC2-amino-4-(methylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde
SMILESCNc1nc(N)[nH]c(=O)c1C=O
InChIInChI=1S/C6H8N4O2/c1-8-4-3(2-11)5(12)10-6(7)9-4/h2H,1H3,(H4,7,8,9,10,12)
InChIKeyKMXHEVRZRAEVSB-UHFFFAOYSA-N
MW168.16 g/mol
LogP-0.79
Rot. Bonds2

About 2-amino-4-(methylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde

2-amino-4-(methylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde (PubChem CID 135987608) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is 2-amino-4-(methylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-amino-4-(methylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde
PubChem CID135987608
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC Name2-amino-4-(methylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde
SMILESCNc1nc(N)[nH]c(=O)c1C=O
InChIInChI=1S/C6H8N4O2/c1-8-4-3(2-11)5(12)10-6(7)9-4/h2H,1H3,(H4,7,8,9,10,12)
InChIKeyKMXHEVRZRAEVSB-UHFFFAOYSA-N
XLogP-0.79
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
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 2-amino-4-(methylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde?
The IUPAC name of 2-amino-4-(methylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde (CID 135987608) is 2-amino-4-(methylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-amino-4-(methylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde?
The canonical SMILES for 2-amino-4-(methylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde is CNc1nc(N)[nH]c(=O)c1C=O.
What is the InChIKey of 2-amino-4-(methylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde?
The InChIKey is KMXHEVRZRAEVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2/c1-8-4-3(2-11)5(12)10-6(7)9-4/h2H,1H3,(H4,7,8,9,10,12).
What are the key properties of 2-amino-4-(methylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde?
2-amino-4-(methylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde has a molecular weight of 168.16 g/mol, XLogP of -0.79, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(methylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde is sourced from PubChem (CID 135987608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).