2-amino-2,3,5,6-tetrahydro-1H-pteridin-4-one

C6H9N5O — CID 141390850

IUPAC2-amino-2,3,5,6-tetrahydro-1H-pteridin-4-one
SMILESNC1NC(=O)C2=C(N=CCN2)N1
InChIInChI=1S/C6H9N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h2,6,8,10H,1,7H2,(H,11,12)
InChIKeyJVSMWIBDGAODDR-UHFFFAOYSA-N
MW167.17 g/mol
LogP-2.21
Rot. Bonds

About 2-amino-2,3,5,6-tetrahydro-1H-pteridin-4-one

2-amino-2,3,5,6-tetrahydro-1H-pteridin-4-one (PubChem CID 141390850) has the molecular formula C6H9N5O and a molecular weight of 167.17 g/mol. Its IUPAC name is 2-amino-2,3,5,6-tetrahydro-1H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-2,3,5,6-tetrahydro-1H-pteridin-4-one
PubChem CID141390850
Molecular FormulaC6H9N5O
Molecular Weight167.17 g/mol
Exact Mass167.08
IUPAC Name2-amino-2,3,5,6-tetrahydro-1H-pteridin-4-one
SMILESNC1NC(=O)C2=C(N=CCN2)N1
InChIInChI=1S/C6H9N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h2,6,8,10H,1,7H2,(H,11,12)
InChIKeyJVSMWIBDGAODDR-UHFFFAOYSA-N
XLogP-2.21
TPSA91.54 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-2.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

7,8-Dihydro-2,4(1H,3H)-pteridinedione
CID 590555
2,4,6(3H)-Pteridinetrione, 1,5-dihydro-
CID 75733
7,8-Dihydropterin
CID 135440520
4(3H)-Pteridinone, 7,8-dihydro-
CID 135743866
1,3-dimethyl-5H-pteridine-2,4,6-trione
CID 4180446
1-methyl-5H-pteridine-2,4,6-trione
CID 3521017
1,5,7,8-Tetrahydro-2,6-pteridinedione
CID 597194
5,6,7,8-Tetrahydropteridin-4(1H)-one
CID 135755335
5,6-dihydro-3H-pteridin-4-one
CID 135755329
pteridine-2,7(1H,3H)-dione, 5,6-dihydro-
CID 171383936
2-Amino-4-oxo-6-hydroxy-methyldihydropteridine
CID 20975263
2-Amino-6-hydroxypterin
CID 129890365

Frequently Asked Questions

What is the IUPAC name of 2-amino-2,3,5,6-tetrahydro-1H-pteridin-4-one?
The IUPAC name of 2-amino-2,3,5,6-tetrahydro-1H-pteridin-4-one (CID 141390850) is 2-amino-2,3,5,6-tetrahydro-1H-pteridin-4-one.
What is the SMILES notation for 2-amino-2,3,5,6-tetrahydro-1H-pteridin-4-one?
The canonical SMILES for 2-amino-2,3,5,6-tetrahydro-1H-pteridin-4-one is NC1NC(=O)C2=C(N=CCN2)N1.
What is the InChIKey of 2-amino-2,3,5,6-tetrahydro-1H-pteridin-4-one?
The InChIKey is JVSMWIBDGAODDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h2,6,8,10H,1,7H2,(H,11,12).
What are the key properties of 2-amino-2,3,5,6-tetrahydro-1H-pteridin-4-one?
2-amino-2,3,5,6-tetrahydro-1H-pteridin-4-one has a molecular weight of 167.17 g/mol, XLogP of -2.21, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,3,5,6-tetrahydro-1H-pteridin-4-one is sourced from PubChem (CID 141390850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).