2-amino-6-phenyl-5,6,7,8-tetrahydro-3H-pteridin-4-one

C12H13N5O — CID 135409388

IUPAC2-amino-6-phenyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESNc1nc2c(c(=O)[nH]1)NC(c1ccccc1)CN2
InChIInChI=1S/C12H13N5O/c13-12-16-10-9(11(18)17-12)15-8(6-14-10)7-4-2-1-3-5-7/h1-5,8,15H,6H2,(H4,13,14,16,17,18)
InChIKeyGCCPWDPPTDJJNJ-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.93
Rot. Bonds1

About 2-amino-6-phenyl-5,6,7,8-tetrahydro-3H-pteridin-4-one

2-amino-6-phenyl-5,6,7,8-tetrahydro-3H-pteridin-4-one (PubChem CID 135409388) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-amino-6-phenyl-5,6,7,8-tetrahydro-3H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-6-phenyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
PubChem CID135409388
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name2-amino-6-phenyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESNc1nc2c(c(=O)[nH]1)NC(c1ccccc1)CN2
InChIInChI=1S/C12H13N5O/c13-12-16-10-9(11(18)17-12)15-8(6-14-10)7-4-2-1-3-5-7/h1-5,8,15H,6H2,(H4,13,14,16,17,18)
InChIKeyGCCPWDPPTDJJNJ-UHFFFAOYSA-N
XLogP0.93
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-phenyl-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The IUPAC name of 2-amino-6-phenyl-5,6,7,8-tetrahydro-3H-pteridin-4-one (CID 135409388) is 2-amino-6-phenyl-5,6,7,8-tetrahydro-3H-pteridin-4-one.
What is the SMILES notation for 2-amino-6-phenyl-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The canonical SMILES for 2-amino-6-phenyl-5,6,7,8-tetrahydro-3H-pteridin-4-one is Nc1nc2c(c(=O)[nH]1)NC(c1ccccc1)CN2.
What is the InChIKey of 2-amino-6-phenyl-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The InChIKey is GCCPWDPPTDJJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c13-12-16-10-9(11(18)17-12)15-8(6-14-10)7-4-2-1-3-5-7/h1-5,8,15H,6H2,(H4,13,14,16,17,18).
What are the key properties of 2-amino-6-phenyl-5,6,7,8-tetrahydro-3H-pteridin-4-one?
2-amino-6-phenyl-5,6,7,8-tetrahydro-3H-pteridin-4-one has a molecular weight of 243.27 g/mol, XLogP of 0.93, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-phenyl-5,6,7,8-tetrahydro-3H-pteridin-4-one is sourced from PubChem (CID 135409388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).