4-(dimethylamino)-9-(morpholin-4-ylmethyl)-5H-imidazo[5,1-h]pteridin-6-one

C15H19N7O2 — CID 19358847

IUPAC4-(dimethylamino)-9-(morpholin-4-ylmethyl)-5H-imidazo[5,1-h]pteridin-6-one
SMILESCN(C)c1ncnc2c1[nH]c(=O)c1cnc(CN3CCOCC3)n12
InChIInChI=1S/C15H19N7O2/c1-20(2)13-12-14(18-9-17-13)22-10(15(23)19-12)7-16-11(22)8-21-3-5-24-6-4-21/h7,9H,3-6,8H2,1-2H3,(H,19,23)
InChIKeyBUCXBQONTKMAAQ-UHFFFAOYSA-N
MW329.36 g/mol
LogP-0.14
Rot. Bonds3

About 4-(dimethylamino)-9-(morpholin-4-ylmethyl)-5H-imidazo[5,1-h]pteridin-6-one

4-(dimethylamino)-9-(morpholin-4-ylmethyl)-5H-imidazo[5,1-h]pteridin-6-one (PubChem CID 19358847) has the molecular formula C15H19N7O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-(dimethylamino)-9-(morpholin-4-ylmethyl)-5H-imidazo[5,1-h]pteridin-6-one.

Molecular Properties

Compound Name4-(dimethylamino)-9-(morpholin-4-ylmethyl)-5H-imidazo[5,1-h]pteridin-6-one
PubChem CID19358847
Molecular FormulaC15H19N7O2
Molecular Weight329.36 g/mol
Exact Mass329.16
IUPAC Name4-(dimethylamino)-9-(morpholin-4-ylmethyl)-5H-imidazo[5,1-h]pteridin-6-one
SMILESCN(C)c1ncnc2c1[nH]c(=O)c1cnc(CN3CCOCC3)n12
InChIInChI=1S/C15H19N7O2/c1-20(2)13-12-14(18-9-17-13)22-10(15(23)19-12)7-16-11(22)8-21-3-5-24-6-4-21/h7,9H,3-6,8H2,1-2H3,(H,19,23)
InChIKeyBUCXBQONTKMAAQ-UHFFFAOYSA-N
XLogP-0.14
TPSA91.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-9-(morpholin-4-ylmethyl)-5H-imidazo[5,1-h]pteridin-6-one?
The IUPAC name of 4-(dimethylamino)-9-(morpholin-4-ylmethyl)-5H-imidazo[5,1-h]pteridin-6-one (CID 19358847) is 4-(dimethylamino)-9-(morpholin-4-ylmethyl)-5H-imidazo[5,1-h]pteridin-6-one.
What is the SMILES notation for 4-(dimethylamino)-9-(morpholin-4-ylmethyl)-5H-imidazo[5,1-h]pteridin-6-one?
The canonical SMILES for 4-(dimethylamino)-9-(morpholin-4-ylmethyl)-5H-imidazo[5,1-h]pteridin-6-one is CN(C)c1ncnc2c1[nH]c(=O)c1cnc(CN3CCOCC3)n12.
What is the InChIKey of 4-(dimethylamino)-9-(morpholin-4-ylmethyl)-5H-imidazo[5,1-h]pteridin-6-one?
The InChIKey is BUCXBQONTKMAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O2/c1-20(2)13-12-14(18-9-17-13)22-10(15(23)19-12)7-16-11(22)8-21-3-5-24-6-4-21/h7,9H,3-6,8H2,1-2H3,(H,19,23).
What are the key properties of 4-(dimethylamino)-9-(morpholin-4-ylmethyl)-5H-imidazo[5,1-h]pteridin-6-one?
4-(dimethylamino)-9-(morpholin-4-ylmethyl)-5H-imidazo[5,1-h]pteridin-6-one has a molecular weight of 329.36 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-9-(morpholin-4-ylmethyl)-5H-imidazo[5,1-h]pteridin-6-one is sourced from PubChem (CID 19358847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).