2-amino-4-(1-hydroxypropyl)-8H-pteridin-7-one

C9H11N5O2 — CID 69458072

IUPAC2-amino-4-(1-hydroxypropyl)-8H-pteridin-7-one
SMILESCCC(O)c1nc(N)nc2[nH]c(=O)cnc12
InChIInChI=1S/C9H11N5O2/c1-2-4(15)6-7-8(14-9(10)13-6)12-5(16)3-11-7/h3-4,15H,2H2,1H3,(H3,10,12,13,14,16)
InChIKeyQOYQTWFEFQPLMK-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.26
Rot. Bonds2

About 2-amino-4-(1-hydroxypropyl)-8H-pteridin-7-one

2-amino-4-(1-hydroxypropyl)-8H-pteridin-7-one (PubChem CID 69458072) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-amino-4-(1-hydroxypropyl)-8H-pteridin-7-one.

Molecular Properties

Compound Name2-amino-4-(1-hydroxypropyl)-8H-pteridin-7-one
PubChem CID69458072
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name2-amino-4-(1-hydroxypropyl)-8H-pteridin-7-one
SMILESCCC(O)c1nc(N)nc2[nH]c(=O)cnc12
InChIInChI=1S/C9H11N5O2/c1-2-4(15)6-7-8(14-9(10)13-6)12-5(16)3-11-7/h3-4,15H,2H2,1H3,(H3,10,12,13,14,16)
InChIKeyQOYQTWFEFQPLMK-UHFFFAOYSA-N
XLogP-0.26
TPSA117.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6-oxo-5H-pteridin-4-olate
CID 51382669
8-(4-amino-3-ethylsulfanylphenoxy)-4H-pyrido[2,3-b]pyrazin-3-one
CID 155586197
2-amino-9-(1-hydroxypropyl)-1H-purin-6-one
CID 137154787
8-tert-butyl-4H-pyrido[2,3-b]pyrazin-3-one
CID 140900846
ethyl 2-methyl-6-oxo-1H-pyrazine-3-carboxylate
CID 130116351
4-amino-2-(1-sulfanylpropyl)-1H-pyrimidin-6-one
CID 175434146
2-[(2,3-difluorophenyl)methylsulfanyl]-4-(2-hydroxypropylamino)-8H-pteridin-7-one
CID 22505954
4-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-2-ethyl-1H-pyrimidin-6-one
CID 136979168
2-[[6-[(1S)-1-hydroxypropyl]-3-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
CID 113355458
4-N-pentan-3-ylpyrimidine-2,4,6-triamine
CID 80769685
(1R)-1-(5-bromo-4-methyl-2-pyridinyl)propan-1-ol
CID 166123718
5-(1-hydroxypropyl)-6-methyl-1H-pyridin-2-one
CID 102546387

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1-hydroxypropyl)-8H-pteridin-7-one?
The IUPAC name of 2-amino-4-(1-hydroxypropyl)-8H-pteridin-7-one (CID 69458072) is 2-amino-4-(1-hydroxypropyl)-8H-pteridin-7-one.
What is the SMILES notation for 2-amino-4-(1-hydroxypropyl)-8H-pteridin-7-one?
The canonical SMILES for 2-amino-4-(1-hydroxypropyl)-8H-pteridin-7-one is CCC(O)c1nc(N)nc2[nH]c(=O)cnc12.
What is the InChIKey of 2-amino-4-(1-hydroxypropyl)-8H-pteridin-7-one?
The InChIKey is QOYQTWFEFQPLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c1-2-4(15)6-7-8(14-9(10)13-6)12-5(16)3-11-7/h3-4,15H,2H2,1H3,(H3,10,12,13,14,16).
What are the key properties of 2-amino-4-(1-hydroxypropyl)-8H-pteridin-7-one?
2-amino-4-(1-hydroxypropyl)-8H-pteridin-7-one has a molecular weight of 221.22 g/mol, XLogP of -0.26, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1-hydroxypropyl)-8H-pteridin-7-one is sourced from PubChem (CID 69458072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).