2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetaldehyde

C7H10N4O3 — CID 15227544

IUPAC2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetaldehyde
SMILESCn1c(N)c(NCC=O)c(=O)[nH]c1=O
InChIInChI=1S/C7H10N4O3/c1-11-5(8)4(9-2-3-12)6(13)10-7(11)14/h3,9H,2,8H2,1H3,(H,10,13,14)
InChIKeyWOAKODVUIFBCKE-UHFFFAOYSA-N
MW198.18 g/mol
LogP-1.73
Rot. Bonds3

About 2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetaldehyde

2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetaldehyde (PubChem CID 15227544) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetaldehyde.

Molecular Properties

Compound Name2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetaldehyde
PubChem CID15227544
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Name2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetaldehyde
SMILESCn1c(N)c(NCC=O)c(=O)[nH]c1=O
InChIInChI=1S/C7H10N4O3/c1-11-5(8)4(9-2-3-12)6(13)10-7(11)14/h3,9H,2,8H2,1H3,(H,10,13,14)
InChIKeyWOAKODVUIFBCKE-UHFFFAOYSA-N
XLogP-1.73
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-1.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetaldehyde?
The IUPAC name of 2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetaldehyde (CID 15227544) is 2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetaldehyde.
What is the SMILES notation for 2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetaldehyde?
The canonical SMILES for 2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetaldehyde is Cn1c(N)c(NCC=O)c(=O)[nH]c1=O.
What is the InChIKey of 2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetaldehyde?
The InChIKey is WOAKODVUIFBCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-11-5(8)4(9-2-3-12)6(13)10-7(11)14/h3,9H,2,8H2,1H3,(H,10,13,14).
What are the key properties of 2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetaldehyde?
2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetaldehyde has a molecular weight of 198.18 g/mol, XLogP of -1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetaldehyde is sourced from PubChem (CID 15227544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).