2-amino-4-oxo-2,3,4a,5,6,7-hexahydro-1H-pteridine-6-carbaldehyde

C7H11N5O2 — CID 54049739

IUPAC2-amino-4-oxo-2,3,4a,5,6,7-hexahydro-1H-pteridine-6-carbaldehyde
SMILESNC1NC(=O)C2NC(C=O)CN=C2N1
InChIInChI=1S/C7H11N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h2-4,7,10H,1,8H2,(H,9,11)(H,12,14)
InChIKeyLSAXXPJBSLNBBZ-UHFFFAOYSA-N
MW197.20 g/mol
LogP-3.11
Rot. Bonds1

About 2-amino-4-oxo-2,3,4a,5,6,7-hexahydro-1H-pteridine-6-carbaldehyde

2-amino-4-oxo-2,3,4a,5,6,7-hexahydro-1H-pteridine-6-carbaldehyde (PubChem CID 54049739) has the molecular formula C7H11N5O2 and a molecular weight of 197.20 g/mol. Its IUPAC name is 2-amino-4-oxo-2,3,4a,5,6,7-hexahydro-1H-pteridine-6-carbaldehyde.

Molecular Properties

Compound Name2-amino-4-oxo-2,3,4a,5,6,7-hexahydro-1H-pteridine-6-carbaldehyde
PubChem CID54049739
Molecular FormulaC7H11N5O2
Molecular Weight197.20 g/mol
Exact Mass197.09
IUPAC Name2-amino-4-oxo-2,3,4a,5,6,7-hexahydro-1H-pteridine-6-carbaldehyde
SMILESNC1NC(=O)C2NC(C=O)CN=C2N1
InChIInChI=1S/C7H11N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h2-4,7,10H,1,8H2,(H,9,11)(H,12,14)
InChIKeyLSAXXPJBSLNBBZ-UHFFFAOYSA-N
XLogP-3.11
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 5-3.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-amino-4-oxo-2,3,4a,5,6,7-hexahydro-1H-pteridine-6-carbaldehyde with MolForge

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Related Compounds

7,8-Dihydroxanthopterin
CID 136648281
6,6-Dimethyltetrahydro-pterin
CID 129692030
(6R)-2-amino-6-(aminomethyl)-4-oxo-1,2,3,4a,6,7-hexahydropteridine-5-carbaldehyde
CID 124222454
(6R)-2-amino-6-methyl-4-oxo-1,2,3,4a,6,7-hexahydropteridine-5-carbaldehyde
CID 135393520
2-amino-2,3,4a,7-tetrahydro-1H-pteridin-4-one
CID 53675801
2-(methylamino)-2,3,4a,7-tetrahydro-1H-pteridin-4-one
CID 53695782
2-amino-6-methyl-2,3,4a,7-tetrahydro-1H-pteridin-4-one
CID 54537290
1-Methyl-2,4-dioxotetrahydropteridine
CID 70269971
7-methyl-4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione
CID 89239855
4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione
CID 129632103
2-amino-2,3,4a,5,6,7-hexahydro-1H-pteridin-4-one
CID 152342273
7-hydroxy-4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione
CID 172786142

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-oxo-2,3,4a,5,6,7-hexahydro-1H-pteridine-6-carbaldehyde?
The IUPAC name of 2-amino-4-oxo-2,3,4a,5,6,7-hexahydro-1H-pteridine-6-carbaldehyde (CID 54049739) is 2-amino-4-oxo-2,3,4a,5,6,7-hexahydro-1H-pteridine-6-carbaldehyde.
What is the SMILES notation for 2-amino-4-oxo-2,3,4a,5,6,7-hexahydro-1H-pteridine-6-carbaldehyde?
The canonical SMILES for 2-amino-4-oxo-2,3,4a,5,6,7-hexahydro-1H-pteridine-6-carbaldehyde is NC1NC(=O)C2NC(C=O)CN=C2N1.
What is the InChIKey of 2-amino-4-oxo-2,3,4a,5,6,7-hexahydro-1H-pteridine-6-carbaldehyde?
The InChIKey is LSAXXPJBSLNBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h2-4,7,10H,1,8H2,(H,9,11)(H,12,14).
What are the key properties of 2-amino-4-oxo-2,3,4a,5,6,7-hexahydro-1H-pteridine-6-carbaldehyde?
2-amino-4-oxo-2,3,4a,5,6,7-hexahydro-1H-pteridine-6-carbaldehyde has a molecular weight of 197.20 g/mol, XLogP of -3.11, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-oxo-2,3,4a,5,6,7-hexahydro-1H-pteridine-6-carbaldehyde is sourced from PubChem (CID 54049739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).