6-(hydroxymethyl)-2-(iodoamino)-7,8-dihydro-3H-pteridin-4-one

C7H8IN5O2 — CID 135848410

IUPAC6-(hydroxymethyl)-2-(iodoamino)-7,8-dihydro-3H-pteridin-4-one
SMILESO=c1[nH]c(NI)nc2c1N=C(CO)CN2
InChIInChI=1S/C7H8IN5O2/c8-13-7-11-5-4(6(15)12-7)10-3(2-14)1-9-5/h14H,1-2H2,(H3,9,11,12,13,15)
InChIKeyDKHVZQFCLGTVOO-UHFFFAOYSA-N
MW321.08 g/mol
LogP0.02
Rot. Bonds2

About 6-(hydroxymethyl)-2-(iodoamino)-7,8-dihydro-3H-pteridin-4-one

6-(hydroxymethyl)-2-(iodoamino)-7,8-dihydro-3H-pteridin-4-one (PubChem CID 135848410) has the molecular formula C7H8IN5O2 and a molecular weight of 321.08 g/mol. Its IUPAC name is 6-(hydroxymethyl)-2-(iodoamino)-7,8-dihydro-3H-pteridin-4-one.

Molecular Properties

Compound Name6-(hydroxymethyl)-2-(iodoamino)-7,8-dihydro-3H-pteridin-4-one
PubChem CID135848410
Molecular FormulaC7H8IN5O2
Molecular Weight321.08 g/mol
Exact Mass320.97
IUPAC Name6-(hydroxymethyl)-2-(iodoamino)-7,8-dihydro-3H-pteridin-4-one
SMILESO=c1[nH]c(NI)nc2c1N=C(CO)CN2
InChIInChI=1S/C7H8IN5O2/c8-13-7-11-5-4(6(15)12-7)10-3(2-14)1-9-5/h14H,1-2H2,(H3,9,11,12,13,15)
InChIKeyDKHVZQFCLGTVOO-UHFFFAOYSA-N
XLogP0.02
TPSA102.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.08
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-2-(iodoamino)-7,8-dihydro-3H-pteridin-4-one?
The IUPAC name of 6-(hydroxymethyl)-2-(iodoamino)-7,8-dihydro-3H-pteridin-4-one (CID 135848410) is 6-(hydroxymethyl)-2-(iodoamino)-7,8-dihydro-3H-pteridin-4-one.
What is the SMILES notation for 6-(hydroxymethyl)-2-(iodoamino)-7,8-dihydro-3H-pteridin-4-one?
The canonical SMILES for 6-(hydroxymethyl)-2-(iodoamino)-7,8-dihydro-3H-pteridin-4-one is O=c1[nH]c(NI)nc2c1N=C(CO)CN2.
What is the InChIKey of 6-(hydroxymethyl)-2-(iodoamino)-7,8-dihydro-3H-pteridin-4-one?
The InChIKey is DKHVZQFCLGTVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8IN5O2/c8-13-7-11-5-4(6(15)12-7)10-3(2-14)1-9-5/h14H,1-2H2,(H3,9,11,12,13,15).
What are the key properties of 6-(hydroxymethyl)-2-(iodoamino)-7,8-dihydro-3H-pteridin-4-one?
6-(hydroxymethyl)-2-(iodoamino)-7,8-dihydro-3H-pteridin-4-one has a molecular weight of 321.08 g/mol, XLogP of 0.02, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-2-(iodoamino)-7,8-dihydro-3H-pteridin-4-one is sourced from PubChem (CID 135848410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).