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'}

Analyze 7-ethyl-4-pentyl-2-pyrrolidin-1-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

Related Compounds

2-(azetidin-1-yl)-4-cyclobutyloxy-6-tetradecylpyrimidin-5-ol
CID 132961465
2,4-bis(azetidin-1-yl)-5-bromo-6-tetradecylpyrimidine
CID 134284549
2,4-bis(azetidin-1-yl)-6-hexadecylpyrimidin-5-ol;2,4-bis(azetidin-1-yl)-6-methylpyrimidin-5-ol;2,4-bis(azetidin-1-yl)-6-tetradecylpyrimidin-5-ol
CID 167581523
2-(azetidin-1-yl)-4-methyl-6-octylpyrimidine
CID 145141912
2-(azetidin-1-yl)-4-hexadecyl-6-propan-2-yloxypyrimidin-5-ol
CID 132578430
4-hexadecyl-6-pentan-2-yloxy-2-piperidin-1-ylpyrimidin-5-ol
CID 154970513
2-(azepan-1-yl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742589
3-methyl-7-octyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione
CID 78303083
4-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-3-methylpiperazine-2,6-dione
CID 66075655
4-pentyl-2,4a,5,6,7,7a-hexahydrocyclopenta[d]pyridazin-1-one
CID 70361402
2-butyl-4-chloro-6-piperidin-1-yl-1,3,5-triazine
CID 106659250
5-methyl-2-piperidin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 24988079

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).