2-amino-7-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one

C9H15N5O3 — CID 135616732

IUPAC2-amino-7-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESCC(O)C(O)C1CNc2c(nc(N)[nH]c2=O)N1
InChIInChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-5-7(12-4)13-9(10)14-8(5)17/h3-4,6,11,15-16H,2H2,1H3,(H4,10,12,13,14,17)
InChIKeyUUJCZDAMSPXYEU-UHFFFAOYSA-N
MW241.25 g/mol
LogP-1.70
Rot. Bonds2

About 2-amino-7-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one

2-amino-7-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one (PubChem CID 135616732) has the molecular formula C9H15N5O3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-amino-7-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-7-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
PubChem CID135616732
Molecular FormulaC9H15N5O3
Molecular Weight241.25 g/mol
Exact Mass241.12
IUPAC Name2-amino-7-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESCC(O)C(O)C1CNc2c(nc(N)[nH]c2=O)N1
InChIInChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-5-7(12-4)13-9(10)14-8(5)17/h3-4,6,11,15-16H,2H2,1H3,(H4,10,12,13,14,17)
InChIKeyUUJCZDAMSPXYEU-UHFFFAOYSA-N
XLogP-1.70
TPSA136.29 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The IUPAC name of 2-amino-7-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one (CID 135616732) is 2-amino-7-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one.
What is the SMILES notation for 2-amino-7-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The canonical SMILES for 2-amino-7-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one is CC(O)C(O)C1CNc2c(nc(N)[nH]c2=O)N1.
What is the InChIKey of 2-amino-7-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The InChIKey is UUJCZDAMSPXYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-5-7(12-4)13-9(10)14-8(5)17/h3-4,6,11,15-16H,2H2,1H3,(H4,10,12,13,14,17).
What are the key properties of 2-amino-7-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
2-amino-7-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one has a molecular weight of 241.25 g/mol, XLogP of -1.70, 2 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one is sourced from PubChem (CID 135616732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).