(6R)-2-amino-4-oxo-6,7-dihydro-3H-pteridine-6-carbaldehyde

C7H7N5O2 — CID 135566268

IUPAC(6R)-2-amino-4-oxo-6,7-dihydro-3H-pteridine-6-carbaldehyde
SMILESNc1nc2c(c(=O)[nH]1)=N[C@@H](C=O)CN=2
InChIInChI=1S/C7H7N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h2-3H,1H2,(H3,8,9,11,12,14)/t3-/m1/s1
InChIKeyQJIWQHXJICFIBM-GSVOUGTGSA-N
MW193.17 g/mol
LogP-2.83
Rot. Bonds1

About (6R)-2-amino-4-oxo-6,7-dihydro-3H-pteridine-6-carbaldehyde

(6R)-2-amino-4-oxo-6,7-dihydro-3H-pteridine-6-carbaldehyde (PubChem CID 135566268) has the molecular formula C7H7N5O2 and a molecular weight of 193.17 g/mol. Its IUPAC name is (6R)-2-amino-4-oxo-6,7-dihydro-3H-pteridine-6-carbaldehyde.

Molecular Properties

Compound Name(6R)-2-amino-4-oxo-6,7-dihydro-3H-pteridine-6-carbaldehyde
PubChem CID135566268
Molecular FormulaC7H7N5O2
Molecular Weight193.17 g/mol
Exact Mass193.06
IUPAC Name(6R)-2-amino-4-oxo-6,7-dihydro-3H-pteridine-6-carbaldehyde
SMILESNc1nc2c(c(=O)[nH]1)=N[C@@H](C=O)CN=2
InChIInChI=1S/C7H7N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h2-3H,1H2,(H3,8,9,11,12,14)/t3-/m1/s1
InChIKeyQJIWQHXJICFIBM-GSVOUGTGSA-N
XLogP-2.83
TPSA113.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 5-2.83
H-Bond Donors ≤ 52
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 (6R)-2-amino-4-oxo-6,7-dihydro-3H-pteridine-6-carbaldehyde?
The IUPAC name of (6R)-2-amino-4-oxo-6,7-dihydro-3H-pteridine-6-carbaldehyde (CID 135566268) is (6R)-2-amino-4-oxo-6,7-dihydro-3H-pteridine-6-carbaldehyde.
What is the SMILES notation for (6R)-2-amino-4-oxo-6,7-dihydro-3H-pteridine-6-carbaldehyde?
The canonical SMILES for (6R)-2-amino-4-oxo-6,7-dihydro-3H-pteridine-6-carbaldehyde is Nc1nc2c(c(=O)[nH]1)=N[C@@H](C=O)CN=2.
What is the InChIKey of (6R)-2-amino-4-oxo-6,7-dihydro-3H-pteridine-6-carbaldehyde?
The InChIKey is QJIWQHXJICFIBM-GSVOUGTGSA-N. The full InChI is InChI=1S/C7H7N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h2-3H,1H2,(H3,8,9,11,12,14)/t3-/m1/s1.
What are the key properties of (6R)-2-amino-4-oxo-6,7-dihydro-3H-pteridine-6-carbaldehyde?
(6R)-2-amino-4-oxo-6,7-dihydro-3H-pteridine-6-carbaldehyde has a molecular weight of 193.17 g/mol, XLogP of -2.83, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-amino-4-oxo-6,7-dihydro-3H-pteridine-6-carbaldehyde is sourced from PubChem (CID 135566268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).