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

C10H17N5O2 — CID 135674617

IUPAC2-amino-6-(propoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESCCCOCC1CNc2nc(N)[nH]c(=O)c2N1
InChIInChI=1S/C10H17N5O2/c1-2-3-17-5-6-4-12-8-7(13-6)9(16)15-10(11)14-8/h6,13H,2-5H2,1H3,(H4,11,12,14,15,16)
InChIKeyCNRYSLZZRLCXAX-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.02
Rot. Bonds4

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

2-amino-6-(propoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one (PubChem CID 135674617) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-amino-6-(propoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-6-(propoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
PubChem CID135674617
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name2-amino-6-(propoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESCCCOCC1CNc2nc(N)[nH]c(=O)c2N1
InChIInChI=1S/C10H17N5O2/c1-2-3-17-5-6-4-12-8-7(13-6)9(16)15-10(11)14-8/h6,13H,2-5H2,1H3,(H4,11,12,14,15,16)
InChIKeyCNRYSLZZRLCXAX-UHFFFAOYSA-N
XLogP-0.02
TPSA105.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-amino-6-(propoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-6-(butoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride
CID 135998862
2-amino-6-(2-methylpropoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 135998865
2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride
CID 135445757
4-(propoxymethyl)imidazolidin-2-one
CID 139889576
2-amino-6-[(2S)-1,2-dihydroxyhexyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 170057866
[(1R,2S)-1-[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl]-1-propanoyloxypropan-2-yl] propanoate
CID 135928958
4-[[(6S)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl]methylamino]benzoate
CID 135926603
(2S)-2-[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxo-5-pentoxypentanoic acid
CID 154029532
2-amino-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135452518
2-amino-6-(1-hydroxypropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;pyrrolidine-2-carboxylic acid
CID 143832258
(2S)-2-[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl)methylamino]benzoyl]amino]-4-methylpentanedioic acid
CID 137234713
(8S)-2-amino-8-hydroxy-1,7,8,9-tetrahydropurin-6-one
CID 136740661

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(propoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The IUPAC name of 2-amino-6-(propoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one (CID 135674617) is 2-amino-6-(propoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one.
What is the SMILES notation for 2-amino-6-(propoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The canonical SMILES for 2-amino-6-(propoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one is CCCOCC1CNc2nc(N)[nH]c(=O)c2N1.
What is the InChIKey of 2-amino-6-(propoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The InChIKey is CNRYSLZZRLCXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-2-3-17-5-6-4-12-8-7(13-6)9(16)15-10(11)14-8/h6,13H,2-5H2,1H3,(H4,11,12,14,15,16).
What are the key properties of 2-amino-6-(propoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
2-amino-6-(propoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one has a molecular weight of 239.28 g/mol, XLogP of -0.02, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(propoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one is sourced from PubChem (CID 135674617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).