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

C7H10N4O2 — CID 135967982

IUPAC2-amino-4-(dimethylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde
SMILESCN(C)c1nc(N)[nH]c(=O)c1C=O
InChIInChI=1S/C7H10N4O2/c1-11(2)5-4(3-12)6(13)10-7(8)9-5/h3H,1-2H3,(H3,8,9,10,13)
InChIKeyYPDUOFMWSXFVLQ-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.77
Rot. Bonds2

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

2-amino-4-(dimethylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde (PubChem CID 135967982) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-amino-4-(dimethylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-amino-4-(dimethylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde
PubChem CID135967982
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name2-amino-4-(dimethylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde
SMILESCN(C)c1nc(N)[nH]c(=O)c1C=O
InChIInChI=1S/C7H10N4O2/c1-11(2)5-4(3-12)6(13)10-7(8)9-5/h3H,1-2H3,(H3,8,9,10,13)
InChIKeyYPDUOFMWSXFVLQ-UHFFFAOYSA-N
XLogP-0.77
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
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-(dimethylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde?
The IUPAC name of 2-amino-4-(dimethylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde (CID 135967982) is 2-amino-4-(dimethylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-amino-4-(dimethylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde?
The canonical SMILES for 2-amino-4-(dimethylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde is CN(C)c1nc(N)[nH]c(=O)c1C=O.
What is the InChIKey of 2-amino-4-(dimethylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde?
The InChIKey is YPDUOFMWSXFVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-11(2)5-4(3-12)6(13)10-7(8)9-5/h3H,1-2H3,(H3,8,9,10,13).
What are the key properties of 2-amino-4-(dimethylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde?
2-amino-4-(dimethylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde has a molecular weight of 182.18 g/mol, XLogP of -0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(dimethylamino)-6-oxo-1H-pyrimidine-5-carbaldehyde is sourced from PubChem (CID 135967982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).