2-(dimethylamino)-4-phenylmethoxy-8H-pteridin-7-one

C15H15N5O2 — CID 5409421

IUPAC2-(dimethylamino)-4-phenylmethoxy-8H-pteridin-7-one
SMILESCN(C)c1nc(OCc2ccccc2)c2ncc(=O)[nH]c2n1
InChIInChI=1S/C15H15N5O2/c1-20(2)15-18-13-12(16-8-11(21)17-13)14(19-15)22-9-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H,17,18,19,21)
InChIKeyYRCIXIMZNJNGFC-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.36
Rot. Bonds4

About 2-(dimethylamino)-4-phenylmethoxy-8H-pteridin-7-one

2-(dimethylamino)-4-phenylmethoxy-8H-pteridin-7-one (PubChem CID 5409421) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-(dimethylamino)-4-phenylmethoxy-8H-pteridin-7-one.

Molecular Properties

Compound Name2-(dimethylamino)-4-phenylmethoxy-8H-pteridin-7-one
PubChem CID5409421
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name2-(dimethylamino)-4-phenylmethoxy-8H-pteridin-7-one
SMILESCN(C)c1nc(OCc2ccccc2)c2ncc(=O)[nH]c2n1
InChIInChI=1S/C15H15N5O2/c1-20(2)15-18-13-12(16-8-11(21)17-13)14(19-15)22-9-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H,17,18,19,21)
InChIKeyYRCIXIMZNJNGFC-UHFFFAOYSA-N
XLogP1.36
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(dimethylamino)-4-phenylmethoxy-8H-pteridin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-Diamino-6-benzyloxy-5-nitrosopyrimidine
CID 181029
2,5,6-Triamino-4-Benzyloxypyrimidine
CID 9816044
8-Oxo-Benzylguanine
CID 10422576
benzyl N-[2-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidin-4-yl]carbamate
CID 5329587
6-(Benzyloxy)-2-methoxy-5-nitroso-4-pyrimidinamine
CID 378838
4-(4-Morpholinyl)pyrimido[4,5-b][1,4]benzoxazepine
CID 900081
N-(6-(Benzyloxy)-8-oxo-7,8-dihydro-1H-purin-2-yl)acetamide
CID 44347089
6-phenyl-7H-pyrimido[4,5-b][1,4]oxazine-2,4-diamine
CID 12517705
2-Amino-4-benzyloxy-6-morpholino-5-nitropyrimidine
CID 53317586
1-(6-(Benzyloxy)pyrimidin-4-yl)-3-isopropylurea
CID 71795807
6-(4-fluorophenyl)-7H-pyrimido[4,5-b][1,4]oxazin-4-amine
CID 58909579
2,6-Diamino-5-nitroso-4-[4-(2,2,2-trifluoro-acetamidomethyl)-benzyloxy]-pyrimidine
CID 86615611

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-phenylmethoxy-8H-pteridin-7-one?
The IUPAC name of 2-(dimethylamino)-4-phenylmethoxy-8H-pteridin-7-one (CID 5409421) is 2-(dimethylamino)-4-phenylmethoxy-8H-pteridin-7-one.
What is the SMILES notation for 2-(dimethylamino)-4-phenylmethoxy-8H-pteridin-7-one?
The canonical SMILES for 2-(dimethylamino)-4-phenylmethoxy-8H-pteridin-7-one is CN(C)c1nc(OCc2ccccc2)c2ncc(=O)[nH]c2n1.
What is the InChIKey of 2-(dimethylamino)-4-phenylmethoxy-8H-pteridin-7-one?
The InChIKey is YRCIXIMZNJNGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-20(2)15-18-13-12(16-8-11(21)17-13)14(19-15)22-9-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H,17,18,19,21).
What are the key properties of 2-(dimethylamino)-4-phenylmethoxy-8H-pteridin-7-one?
2-(dimethylamino)-4-phenylmethoxy-8H-pteridin-7-one has a molecular weight of 297.32 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-phenylmethoxy-8H-pteridin-7-one is sourced from PubChem (CID 5409421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).