2-amino-6-propanoyl-7,8-dihydro-3H-pteridin-4-one

C9H11N5O2 — CID 135703419

IUPAC2-amino-6-propanoyl-7,8-dihydro-3H-pteridin-4-one
SMILESCCC(=O)C1=Nc2c(nc(N)[nH]c2=O)NC1
InChIInChI=1S/C9H11N5O2/c1-2-5(15)4-3-11-7-6(12-4)8(16)14-9(10)13-7/h2-3H2,1H3,(H4,10,11,13,14,16)
InChIKeyMXQYRFPIGKAGPW-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.17
Rot. Bonds2

About 2-amino-6-propanoyl-7,8-dihydro-3H-pteridin-4-one

2-amino-6-propanoyl-7,8-dihydro-3H-pteridin-4-one (PubChem CID 135703419) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-amino-6-propanoyl-7,8-dihydro-3H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-6-propanoyl-7,8-dihydro-3H-pteridin-4-one
PubChem CID135703419
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name2-amino-6-propanoyl-7,8-dihydro-3H-pteridin-4-one
SMILESCCC(=O)C1=Nc2c(nc(N)[nH]c2=O)NC1
InChIInChI=1S/C9H11N5O2/c1-2-5(15)4-3-11-7-6(12-4)8(16)14-9(10)13-7/h2-3H2,1H3,(H4,10,11,13,14,16)
InChIKeyMXQYRFPIGKAGPW-UHFFFAOYSA-N
XLogP-0.17
TPSA113.23 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 ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Sepiapterin
CID 135398579
6-Pyruvoyltetrahydropterin
CID 135398695
6-Methyl-7,8-dihydropterin
CID 135420615
(6R)-6-pyruvoyl-5,6,7,8-tetrahydropterin
CID 135440065
2-amino-6-lactoyl-7,8-dihydropteridin-4(3H)-one
CID 135433595
6-Acetyl-2-amino-3,7,8,9-tetrahydro-4H-pyrimido(4,5-b)(1,4)diazepin-4-one
CID 135398683
Quinonoid-2-amino-4-hydroxy-6,7-dimethyldihydropteridine
CID 135612786
2-amino-4-oxo-7,8-dihydro-1H-pteridine-6-carboxamide
CID 135915291
2-amino-6-nonyl-7,8-dihydro-3H-pteridin-4-one
CID 136504209
6-methyl-2-(methylamino)-4,7(3H,8H)-pteridinedione
CID 135475051
6-Acetyl-7-methyl-7,8-dihydropterin
CID 137235203
Pteridine, 6-acetonyl-2-amino-7,8-dihydro-4-hydroxy-8-methyl-
CID 171384274

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-propanoyl-7,8-dihydro-3H-pteridin-4-one?
The IUPAC name of 2-amino-6-propanoyl-7,8-dihydro-3H-pteridin-4-one (CID 135703419) is 2-amino-6-propanoyl-7,8-dihydro-3H-pteridin-4-one.
What is the SMILES notation for 2-amino-6-propanoyl-7,8-dihydro-3H-pteridin-4-one?
The canonical SMILES for 2-amino-6-propanoyl-7,8-dihydro-3H-pteridin-4-one is CCC(=O)C1=Nc2c(nc(N)[nH]c2=O)NC1.
What is the InChIKey of 2-amino-6-propanoyl-7,8-dihydro-3H-pteridin-4-one?
The InChIKey is MXQYRFPIGKAGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c1-2-5(15)4-3-11-7-6(12-4)8(16)14-9(10)13-7/h2-3H2,1H3,(H4,10,11,13,14,16).
What are the key properties of 2-amino-6-propanoyl-7,8-dihydro-3H-pteridin-4-one?
2-amino-6-propanoyl-7,8-dihydro-3H-pteridin-4-one has a molecular weight of 221.22 g/mol, XLogP of -0.17, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-propanoyl-7,8-dihydro-3H-pteridin-4-one is sourced from PubChem (CID 135703419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).