7-ethyl-4-pentyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pteridin-6-one

C17H27N5O — CID 141341019

IUPAC7-ethyl-4-pentyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pteridin-6-one
SMILESCCCCCc1nc(N2CCCC2)nc2c1NC(=O)C(CC)N2
InChIInChI=1S/C17H27N5O/c1-3-5-6-9-13-14-15(18-12(4-2)16(23)20-14)21-17(19-13)22-10-7-8-11-22/h12H,3-11H2,1-2H3,(H,20,23)(H,18,19,21)
InChIKeyWRHZIGPOWFCPMQ-UHFFFAOYSA-N
MW317.44 g/mol
LogP2.95
Rot. Bonds6

About 7-ethyl-4-pentyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pteridin-6-one

7-ethyl-4-pentyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pteridin-6-one (PubChem CID 141341019) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 7-ethyl-4-pentyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pteridin-6-one.

Molecular Properties

Compound Name7-ethyl-4-pentyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pteridin-6-one
PubChem CID141341019
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name7-ethyl-4-pentyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pteridin-6-one
SMILESCCCCCc1nc(N2CCCC2)nc2c1NC(=O)C(CC)N2
InChIInChI=1S/C17H27N5O/c1-3-5-6-9-13-14-15(18-12(4-2)16(23)20-14)21-17(19-13)22-10-7-8-11-22/h12H,3-11H2,1-2H3,(H,20,23)(H,18,19,21)
InChIKeyWRHZIGPOWFCPMQ-UHFFFAOYSA-N
XLogP2.95
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-pentyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pteridin-6-one?
The IUPAC name of 7-ethyl-4-pentyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pteridin-6-one (CID 141341019) is 7-ethyl-4-pentyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pteridin-6-one.
What is the SMILES notation for 7-ethyl-4-pentyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pteridin-6-one?
The canonical SMILES for 7-ethyl-4-pentyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pteridin-6-one is CCCCCc1nc(N2CCCC2)nc2c1NC(=O)C(CC)N2.
What is the InChIKey of 7-ethyl-4-pentyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pteridin-6-one?
The InChIKey is WRHZIGPOWFCPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-3-5-6-9-13-14-15(18-12(4-2)16(23)20-14)21-17(19-13)22-10-7-8-11-22/h12H,3-11H2,1-2H3,(H,20,23)(H,18,19,21).
What are the key properties of 7-ethyl-4-pentyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pteridin-6-one?
7-ethyl-4-pentyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pteridin-6-one has a molecular weight of 317.44 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-pentyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pteridin-6-one is sourced from PubChem (CID 141341019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).