2-butoxy-6-methyl-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[2,3-d]pyrimidine

C23H30N4O — CID 174979065

IUPAC2-butoxy-6-methyl-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[2,3-d]pyrimidine
SMILESCCCCOc1ncc2cc(C)n(Cc3ccc(CN4CCCC4)cc3)c2n1
InChIInChI=1S/C23H30N4O/c1-3-4-13-28-23-24-15-21-14-18(2)27(22(21)25-23)17-20-9-7-19(8-10-20)16-26-11-5-6-12-26/h7-10,14-15H,3-6,11-13,16-17H2,1-2H3
InChIKeyCQQJQTYBKVZXKC-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.56
Rot. Bonds8

About 2-butoxy-6-methyl-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[2,3-d]pyrimidine

2-butoxy-6-methyl-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[2,3-d]pyrimidine (PubChem CID 174979065) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-butoxy-6-methyl-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-butoxy-6-methyl-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[2,3-d]pyrimidine
PubChem CID174979065
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name2-butoxy-6-methyl-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[2,3-d]pyrimidine
SMILESCCCCOc1ncc2cc(C)n(Cc3ccc(CN4CCCC4)cc3)c2n1
InChIInChI=1S/C23H30N4O/c1-3-4-13-28-23-24-15-21-14-18(2)27(22(21)25-23)17-20-9-7-19(8-10-20)16-26-11-5-6-12-26/h7-10,14-15H,3-6,11-13,16-17H2,1-2H3
InChIKeyCQQJQTYBKVZXKC-UHFFFAOYSA-N
XLogP4.56
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-butoxy-6-methyl-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[2,3-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

4-amino-2-butoxy-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[2,3-d]pyrimidine-6-carbaldehyde
CID 146187717
6-amino-2-butoxy-9-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-7H-purin-8-one
CID 25073642
2-butoxy-9-[(4-pyrrolidin-1-ylphenyl)methyl]-7H-purin-8-one
CID 178100095
[6-butoxy-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[5,4-d]pyrimidin-4-yl] carbamate
CID 175111264
2-butoxy-8-methoxy-9-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]methyl]purin-6-amine
CID 58234612
2-butoxy-9-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]purin-6-amine
CID 58445265
2-amino-N-[6-butoxy-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-yl]acetamide
CID 147544626
9-benzyl-2-butoxy-7H-purin-8-one
CID 141175736
2-methoxy-6-(pyrrolidin-1-ylmethyl)quinazoline
CID 174283606
2-butoxy-8-methoxy-9-[[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]purin-6-amine
CID 58234481
decyl N-[6-butoxy-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-yl]carbamate
CID 147420907
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-methylindole
CID 139899858

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-6-methyl-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2-butoxy-6-methyl-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[2,3-d]pyrimidine (CID 174979065) is 2-butoxy-6-methyl-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-butoxy-6-methyl-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2-butoxy-6-methyl-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[2,3-d]pyrimidine is CCCCOc1ncc2cc(C)n(Cc3ccc(CN4CCCC4)cc3)c2n1.
What is the InChIKey of 2-butoxy-6-methyl-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[2,3-d]pyrimidine?
The InChIKey is CQQJQTYBKVZXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-3-4-13-28-23-24-15-21-14-18(2)27(22(21)25-23)17-20-9-7-19(8-10-20)16-26-11-5-6-12-26/h7-10,14-15H,3-6,11-13,16-17H2,1-2H3.
What are the key properties of 2-butoxy-6-methyl-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[2,3-d]pyrimidine?
2-butoxy-6-methyl-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[2,3-d]pyrimidine has a molecular weight of 378.52 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-6-methyl-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 174979065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).