2-[hydroxymethyl(methylamino)amino]-3H-pteridin-4-one

C8H10N6O2 — CID 141246883

IUPAC2-[hydroxymethyl(methylamino)amino]-3H-pteridin-4-one
SMILESCNN(CO)c1nc2nccnc2c(=O)[nH]1
InChIInChI=1S/C8H10N6O2/c1-9-14(4-15)8-12-6-5(7(16)13-8)10-2-3-11-6/h2-3,9,15H,4H2,1H3,(H,11,12,13,16)
InChIKeySLLDTXALHBIDSO-UHFFFAOYSA-N
MW222.21 g/mol
LogP-1.40
Rot. Bonds3

About 2-[hydroxymethyl(methylamino)amino]-3H-pteridin-4-one

2-[hydroxymethyl(methylamino)amino]-3H-pteridin-4-one (PubChem CID 141246883) has the molecular formula C8H10N6O2 and a molecular weight of 222.21 g/mol. Its IUPAC name is 2-[hydroxymethyl(methylamino)amino]-3H-pteridin-4-one.

Molecular Properties

Compound Name2-[hydroxymethyl(methylamino)amino]-3H-pteridin-4-one
PubChem CID141246883
Molecular FormulaC8H10N6O2
Molecular Weight222.21 g/mol
Exact Mass222.09
IUPAC Name2-[hydroxymethyl(methylamino)amino]-3H-pteridin-4-one
SMILESCNN(CO)c1nc2nccnc2c(=O)[nH]1
InChIInChI=1S/C8H10N6O2/c1-9-14(4-15)8-12-6-5(7(16)13-8)10-2-3-11-6/h2-3,9,15H,4H2,1H3,(H,11,12,13,16)
InChIKeySLLDTXALHBIDSO-UHFFFAOYSA-N
XLogP-1.40
TPSA107.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[hydroxymethyl(methylamino)amino]-3H-pteridin-4-one?
The IUPAC name of 2-[hydroxymethyl(methylamino)amino]-3H-pteridin-4-one (CID 141246883) is 2-[hydroxymethyl(methylamino)amino]-3H-pteridin-4-one.
What is the SMILES notation for 2-[hydroxymethyl(methylamino)amino]-3H-pteridin-4-one?
The canonical SMILES for 2-[hydroxymethyl(methylamino)amino]-3H-pteridin-4-one is CNN(CO)c1nc2nccnc2c(=O)[nH]1.
What is the InChIKey of 2-[hydroxymethyl(methylamino)amino]-3H-pteridin-4-one?
The InChIKey is SLLDTXALHBIDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O2/c1-9-14(4-15)8-12-6-5(7(16)13-8)10-2-3-11-6/h2-3,9,15H,4H2,1H3,(H,11,12,13,16).
What are the key properties of 2-[hydroxymethyl(methylamino)amino]-3H-pteridin-4-one?
2-[hydroxymethyl(methylamino)amino]-3H-pteridin-4-one has a molecular weight of 222.21 g/mol, XLogP of -1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxymethyl(methylamino)amino]-3H-pteridin-4-one is sourced from PubChem (CID 141246883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).