(6R)-2-amino-6-methanidyl-5,6,7,8-tetrahydro-3H-pteridin-4-one

C7H10N5O- — CID 135567409

IUPAC(6R)-2-amino-6-methanidyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILES[CH2-][C@@H]1CNc2nc(N)[nH]c(=O)c2N1
InChIInChI=1S/C7H10N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h3,10H,1-2H2,(H4,8,9,11,12,13)/q-1/t3-/m1/s1
InChIKeyBWDHKYBQZJRVQW-GSVOUGTGSA-N
MW180.19 g/mol
LogP-0.61
Rot. Bonds

About (6R)-2-amino-6-methanidyl-5,6,7,8-tetrahydro-3H-pteridin-4-one

(6R)-2-amino-6-methanidyl-5,6,7,8-tetrahydro-3H-pteridin-4-one (PubChem CID 135567409) has the molecular formula C7H10N5O- and a molecular weight of 180.19 g/mol. Its IUPAC name is (6R)-2-amino-6-methanidyl-5,6,7,8-tetrahydro-3H-pteridin-4-one.

Molecular Properties

Compound Name(6R)-2-amino-6-methanidyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
PubChem CID135567409
Molecular FormulaC7H10N5O-
Molecular Weight180.19 g/mol
Exact Mass180.09
IUPAC Name(6R)-2-amino-6-methanidyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILES[CH2-][C@@H]1CNc2nc(N)[nH]c(=O)c2N1
InChIInChI=1S/C7H10N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h3,10H,1-2H2,(H4,8,9,11,12,13)/q-1/t3-/m1/s1
InChIKeyBWDHKYBQZJRVQW-GSVOUGTGSA-N
XLogP-0.61
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 5-0.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-amino-6-methanidyl-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The IUPAC name of (6R)-2-amino-6-methanidyl-5,6,7,8-tetrahydro-3H-pteridin-4-one (CID 135567409) is (6R)-2-amino-6-methanidyl-5,6,7,8-tetrahydro-3H-pteridin-4-one.
What is the SMILES notation for (6R)-2-amino-6-methanidyl-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The canonical SMILES for (6R)-2-amino-6-methanidyl-5,6,7,8-tetrahydro-3H-pteridin-4-one is [CH2-][C@@H]1CNc2nc(N)[nH]c(=O)c2N1.
What is the InChIKey of (6R)-2-amino-6-methanidyl-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The InChIKey is BWDHKYBQZJRVQW-GSVOUGTGSA-N. The full InChI is InChI=1S/C7H10N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h3,10H,1-2H2,(H4,8,9,11,12,13)/q-1/t3-/m1/s1.
What are the key properties of (6R)-2-amino-6-methanidyl-5,6,7,8-tetrahydro-3H-pteridin-4-one?
(6R)-2-amino-6-methanidyl-5,6,7,8-tetrahydro-3H-pteridin-4-one has a molecular weight of 180.19 g/mol, XLogP of -0.61, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-amino-6-methanidyl-5,6,7,8-tetrahydro-3H-pteridin-4-one is sourced from PubChem (CID 135567409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).