2-amino-1-ethenyl-2,3,4a,5-tetrahydropteridin-4-one

C8H11N5O — CID 154636527

IUPAC2-amino-1-ethenyl-2,3,4a,5-tetrahydropteridin-4-one
SMILESC=CN1C2=NC=CNC2C(=O)NC1N
InChIInChI=1S/C8H11N5O/c1-2-13-6-5(10-3-4-11-6)7(14)12-8(13)9/h2-5,8,10H,1,9H2,(H,12,14)
InChIKeyLXMCZTRDPGUBLA-UHFFFAOYSA-N
MW193.21 g/mol
LogP-1.35
Rot. Bonds1

About 2-amino-1-ethenyl-2,3,4a,5-tetrahydropteridin-4-one

2-amino-1-ethenyl-2,3,4a,5-tetrahydropteridin-4-one (PubChem CID 154636527) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-amino-1-ethenyl-2,3,4a,5-tetrahydropteridin-4-one.

Molecular Properties

Compound Name2-amino-1-ethenyl-2,3,4a,5-tetrahydropteridin-4-one
PubChem CID154636527
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name2-amino-1-ethenyl-2,3,4a,5-tetrahydropteridin-4-one
SMILESC=CN1C2=NC=CNC2C(=O)NC1N
InChIInChI=1S/C8H11N5O/c1-2-13-6-5(10-3-4-11-6)7(14)12-8(13)9/h2-5,8,10H,1,9H2,(H,12,14)
InChIKeyLXMCZTRDPGUBLA-UHFFFAOYSA-N
XLogP-1.35
TPSA82.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Tetra-hydropterin
CID 22239906
Tetrahydroaminopterin
CID 129661061
Methyltetrahydro-pterin
CID 129668725
Tetrahydropteridin-4(3h)one
CID 129675495
2-Methyl-tetrahydropteridin-4(3h)one
CID 129675507
2-amino-1,2-dimethyl-4a,5-dihydro-3H-pteridin-4-one
CID 20082241
1-Methyl-2-(methylamino)-2,3,4a,7-tetrahydropteridin-4-one
CID 54233822
1-Methyl-2-(methylamino)-2,3,4a,5-tetrahydropteridin-4-one
CID 66748813
2-oxo-N-(4-oxo-3,4a,5,8-tetrahydro-2H-pteridin-2-yl)propanamide
CID 67342660
2-(methylamino)-3,4a,5,8-tetrahydro-2H-pteridin-4-one
CID 67526488
4a,5-dihydro-1H-pteridine-2,4-dione
CID 67557158
2-amino-6-(2-aminoethenyl)-3,4a,5,8-tetrahydro-2H-pteridin-4-one
CID 68648603

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-ethenyl-2,3,4a,5-tetrahydropteridin-4-one?
The IUPAC name of 2-amino-1-ethenyl-2,3,4a,5-tetrahydropteridin-4-one (CID 154636527) is 2-amino-1-ethenyl-2,3,4a,5-tetrahydropteridin-4-one.
What is the SMILES notation for 2-amino-1-ethenyl-2,3,4a,5-tetrahydropteridin-4-one?
The canonical SMILES for 2-amino-1-ethenyl-2,3,4a,5-tetrahydropteridin-4-one is C=CN1C2=NC=CNC2C(=O)NC1N.
What is the InChIKey of 2-amino-1-ethenyl-2,3,4a,5-tetrahydropteridin-4-one?
The InChIKey is LXMCZTRDPGUBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-2-13-6-5(10-3-4-11-6)7(14)12-8(13)9/h2-5,8,10H,1,9H2,(H,12,14).
What are the key properties of 2-amino-1-ethenyl-2,3,4a,5-tetrahydropteridin-4-one?
2-amino-1-ethenyl-2,3,4a,5-tetrahydropteridin-4-one has a molecular weight of 193.21 g/mol, XLogP of -1.35, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-ethenyl-2,3,4a,5-tetrahydropteridin-4-one is sourced from PubChem (CID 154636527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).