2,4-dimethoxy-7-pentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C14H22N2O2 — CID 66709560

IUPAC2,4-dimethoxy-7-pentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCCCCCC1CCc2c(OC)nc(OC)nc21
InChIInChI=1S/C14H22N2O2/c1-4-5-6-7-10-8-9-11-12(10)15-14(18-3)16-13(11)17-2/h10H,4-9H2,1-3H3
InChIKeyGEJXFRNJMXHMGY-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.10
Rot. Bonds6

About 2,4-dimethoxy-7-pentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

2,4-dimethoxy-7-pentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 66709560) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2,4-dimethoxy-7-pentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2,4-dimethoxy-7-pentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID66709560
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2,4-dimethoxy-7-pentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCCCCCC1CCc2c(OC)nc(OC)nc21
InChIInChI=1S/C14H22N2O2/c1-4-5-6-7-10-8-9-11-12(10)15-14(18-3)16-13(11)17-2/h10H,4-9H2,1-3H3
InChIKeyGEJXFRNJMXHMGY-UHFFFAOYSA-N
XLogP3.10
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,4-dimethoxy-7-pentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine 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

3-[(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]-2,2-dimethylpropan-1-ol
CID 122536483
7,7-Difluoro-2,4-dimethoxy-5,6-dihydrocyclopenta[d]pyrimidine
CID 156555746
4-Cyclopropyl-5-(2,2-difluoroethyl)-6-methoxypyrimidin-2-amine
CID 164908239
4-Cyclopropyl-2-fluoro-6-methoxy-5-methylpyrimidine
CID 176758482
2-methyl-4-(2,2,2-trifluoroethoxy)-5H,6H,7H-cyclopenta[d]pyrimidine
CID 126954711
4-(2,2-difluoroethoxy)-2-methyl-5H,6H,7H-cyclopenta[d]pyrimidine
CID 126954712
4-cyclobutyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine
CID 143883717
4-Ethyl-2,6-dimethoxy-5-propan-2-ylpyrimidine
CID 10656072
5-Butyl-4-ethoxy-2,6-dimethylpyrimidine
CID 15425429
4-Methoxy-6,7-dihydro-5h-cyclopenta[d]pyrimidin-2-amine
CID 230744
4-Methoxy-2-methylsulfonyl-6,7-dihydro-5H-cyclopentapyrimidine
CID 12073753
4-ethoxy-6,7-dihydro-5H-cyclopentapyrimidin-2-ylamine
CID 12290586

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-7-pentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2,4-dimethoxy-7-pentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 66709560) is 2,4-dimethoxy-7-pentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2,4-dimethoxy-7-pentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2,4-dimethoxy-7-pentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is CCCCCC1CCc2c(OC)nc(OC)nc21.
What is the InChIKey of 2,4-dimethoxy-7-pentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is GEJXFRNJMXHMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-5-6-7-10-8-9-11-12(10)15-14(18-3)16-13(11)17-2/h10H,4-9H2,1-3H3.
What are the key properties of 2,4-dimethoxy-7-pentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2,4-dimethoxy-7-pentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 250.34 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-7-pentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 66709560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).