7-butan-2-yl-4-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pteridin-6-one

C17H28N6O — CID 91961707

IUPAC7-butan-2-yl-4-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pteridin-6-one
SMILESCCCN1CCN(c2ncnc3c2NC(=O)C(C(C)CC)N3)CC1
InChIInChI=1S/C17H28N6O/c1-4-6-22-7-9-23(10-8-22)16-14-15(18-11-19-16)20-13(12(3)5-2)17(24)21-14/h11-13H,4-10H2,1-3H3,(H,21,24)(H,18,19,20)
InChIKeyMWJWJOOTHGKRLW-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.79
Rot. Bonds5

About 7-butan-2-yl-4-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pteridin-6-one

7-butan-2-yl-4-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pteridin-6-one (PubChem CID 91961707) has the molecular formula C17H28N6O and a molecular weight of 332.45 g/mol. Its IUPAC name is 7-butan-2-yl-4-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pteridin-6-one.

Molecular Properties

Compound Name7-butan-2-yl-4-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pteridin-6-one
PubChem CID91961707
Molecular FormulaC17H28N6O
Molecular Weight332.45 g/mol
Exact Mass332.23
IUPAC Name7-butan-2-yl-4-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pteridin-6-one
SMILESCCCN1CCN(c2ncnc3c2NC(=O)C(C(C)CC)N3)CC1
InChIInChI=1S/C17H28N6O/c1-4-6-22-7-9-23(10-8-22)16-14-15(18-11-19-16)20-13(12(3)5-2)17(24)21-14/h11-13H,4-10H2,1-3H3,(H,21,24)(H,18,19,20)
InChIKeyMWJWJOOTHGKRLW-UHFFFAOYSA-N
XLogP1.79
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-butan-2-yl-4-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pteridin-6-one?
The IUPAC name of 7-butan-2-yl-4-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pteridin-6-one (CID 91961707) is 7-butan-2-yl-4-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pteridin-6-one.
What is the SMILES notation for 7-butan-2-yl-4-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pteridin-6-one?
The canonical SMILES for 7-butan-2-yl-4-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pteridin-6-one is CCCN1CCN(c2ncnc3c2NC(=O)C(C(C)CC)N3)CC1.
What is the InChIKey of 7-butan-2-yl-4-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pteridin-6-one?
The InChIKey is MWJWJOOTHGKRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O/c1-4-6-22-7-9-23(10-8-22)16-14-15(18-11-19-16)20-13(12(3)5-2)17(24)21-14/h11-13H,4-10H2,1-3H3,(H,21,24)(H,18,19,20).
What are the key properties of 7-butan-2-yl-4-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pteridin-6-one?
7-butan-2-yl-4-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pteridin-6-one has a molecular weight of 332.45 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butan-2-yl-4-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pteridin-6-one is sourced from PubChem (CID 91961707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).