2-amino-6-propyl-2,3,4a,7-tetrahydro-1H-pteridin-4-one

C9H15N5O — CID 57322900

IUPAC2-amino-6-propyl-2,3,4a,7-tetrahydro-1H-pteridin-4-one
SMILESCCCC1=NC2C(=O)NC(N)NC2=NC1
InChIInChI=1S/C9H15N5O/c1-2-3-5-4-11-7-6(12-5)8(15)14-9(10)13-7/h6,9H,2-4,10H2,1H3,(H,11,13)(H,14,15)
InChIKeyBVDMHOINQBOBQA-UHFFFAOYSA-N
MW209.25 g/mol
LogP-1.03
Rot. Bonds2

About 2-amino-6-propyl-2,3,4a,7-tetrahydro-1H-pteridin-4-one

2-amino-6-propyl-2,3,4a,7-tetrahydro-1H-pteridin-4-one (PubChem CID 57322900) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-amino-6-propyl-2,3,4a,7-tetrahydro-1H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-6-propyl-2,3,4a,7-tetrahydro-1H-pteridin-4-one
PubChem CID57322900
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name2-amino-6-propyl-2,3,4a,7-tetrahydro-1H-pteridin-4-one
SMILESCCCC1=NC2C(=O)NC(N)NC2=NC1
InChIInChI=1S/C9H15N5O/c1-2-3-5-4-11-7-6(12-5)8(15)14-9(10)13-7/h6,9H,2-4,10H2,1H3,(H,11,13)(H,14,15)
InChIKeyBVDMHOINQBOBQA-UHFFFAOYSA-N
XLogP-1.03
TPSA91.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methyl-2-(methylamino)-2,3,6,7-tetrahydropteridin-4-one
CID 53767476
2-Amino-6-methyl-2,3,6,7-tetrahydro-1H-pteridin-4-one
CID 73188125
6,6-Dimethyltetrahydro-pterin
CID 129692030
2-(methylamino)-2,3,6,7-tetrahydro-1H-pteridin-4-one
CID 91227454
2-amino-2,3,4a,7-tetrahydro-1H-pteridin-4-one
CID 53675801
2-(methylamino)-2,3,4a,7-tetrahydro-1H-pteridin-4-one
CID 53695782
2-oxo-N-(4-oxo-2,3,4a,7-tetrahydro-1H-pteridin-2-yl)propanamide
CID 53747632
2-amino-6,7-dimethyl-3,4a,7,8-tetrahydro-2H-pteridin-4-one
CID 53836789
1-Methyl-2-(methylamino)-2,3,4a,7-tetrahydropteridin-4-one
CID 54233822
2-amino-6-methyl-2,3,4a,7-tetrahydro-1H-pteridin-4-one
CID 54537290
2-oxo-N-[(2R)-4-oxo-2,3,4a,7-tetrahydro-1H-pteridin-2-yl]propanamide
CID 91185008
2-amino-6-(2-iminoethyl)-2,3,4a,7-tetrahydro-1H-pteridin-4-one
CID 91486221

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-propyl-2,3,4a,7-tetrahydro-1H-pteridin-4-one?
The IUPAC name of 2-amino-6-propyl-2,3,4a,7-tetrahydro-1H-pteridin-4-one (CID 57322900) is 2-amino-6-propyl-2,3,4a,7-tetrahydro-1H-pteridin-4-one.
What is the SMILES notation for 2-amino-6-propyl-2,3,4a,7-tetrahydro-1H-pteridin-4-one?
The canonical SMILES for 2-amino-6-propyl-2,3,4a,7-tetrahydro-1H-pteridin-4-one is CCCC1=NC2C(=O)NC(N)NC2=NC1.
What is the InChIKey of 2-amino-6-propyl-2,3,4a,7-tetrahydro-1H-pteridin-4-one?
The InChIKey is BVDMHOINQBOBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-2-3-5-4-11-7-6(12-5)8(15)14-9(10)13-7/h6,9H,2-4,10H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 2-amino-6-propyl-2,3,4a,7-tetrahydro-1H-pteridin-4-one?
2-amino-6-propyl-2,3,4a,7-tetrahydro-1H-pteridin-4-one has a molecular weight of 209.25 g/mol, XLogP of -1.03, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-propyl-2,3,4a,7-tetrahydro-1H-pteridin-4-one is sourced from PubChem (CID 57322900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).