4-(4-ethylpiperazin-1-yl)-2-methyl-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one

C16H26N6O — CID 91961866

IUPAC4-(4-ethylpiperazin-1-yl)-2-methyl-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one
SMILESCCN1CCN(c2nc(C)nc3c2NC(=O)C(C(C)C)N3)CC1
InChIInChI=1S/C16H26N6O/c1-5-21-6-8-22(9-7-21)15-13-14(17-11(4)18-15)19-12(10(2)3)16(23)20-13/h10,12H,5-9H2,1-4H3,(H,20,23)(H,17,18,19)
InChIKeyFDTVZIWHCAULGJ-UHFFFAOYSA-N
MW318.43 g/mol
LogP1.32
Rot. Bonds3

About 4-(4-ethylpiperazin-1-yl)-2-methyl-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one

4-(4-ethylpiperazin-1-yl)-2-methyl-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one (PubChem CID 91961866) has the molecular formula C16H26N6O and a molecular weight of 318.43 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-2-methyl-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-2-methyl-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one
PubChem CID91961866
Molecular FormulaC16H26N6O
Molecular Weight318.43 g/mol
Exact Mass318.22
IUPAC Name4-(4-ethylpiperazin-1-yl)-2-methyl-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one
SMILESCCN1CCN(c2nc(C)nc3c2NC(=O)C(C(C)C)N3)CC1
InChIInChI=1S/C16H26N6O/c1-5-21-6-8-22(9-7-21)15-13-14(17-11(4)18-15)19-12(10(2)3)16(23)20-13/h10,12H,5-9H2,1-4H3,(H,20,23)(H,17,18,19)
InChIKeyFDTVZIWHCAULGJ-UHFFFAOYSA-N
XLogP1.32
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(4-ethylpiperazin-1-yl)-2-methyl-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-2-methyl-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-2-methyl-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one (CID 91961866) is 4-(4-ethylpiperazin-1-yl)-2-methyl-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-2-methyl-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-2-methyl-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one is CCN1CCN(c2nc(C)nc3c2NC(=O)C(C(C)C)N3)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-2-methyl-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one?
The InChIKey is FDTVZIWHCAULGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O/c1-5-21-6-8-22(9-7-21)15-13-14(17-11(4)18-15)19-12(10(2)3)16(23)20-13/h10,12H,5-9H2,1-4H3,(H,20,23)(H,17,18,19).
What are the key properties of 4-(4-ethylpiperazin-1-yl)-2-methyl-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one?
4-(4-ethylpiperazin-1-yl)-2-methyl-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one has a molecular weight of 318.43 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-2-methyl-7-propan-2-yl-7,8-dihydro-5H-pteridin-6-one is sourced from PubChem (CID 91961866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).