N-(3-methoxypropyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C11H16N4O — CID 110430140

IUPACN-(3-methoxypropyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOCCCNc1ncnc2[nH]c(C)cc12
InChIInChI=1S/C11H16N4O/c1-8-6-9-10(12-4-3-5-16-2)13-7-14-11(9)15-8/h6-7H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyQPIVNYCAMXVJCW-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.71
Rot. Bonds5

About N-(3-methoxypropyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-(3-methoxypropyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 110430140) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is N-(3-methoxypropyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID110430140
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC NameN-(3-methoxypropyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOCCCNc1ncnc2[nH]c(C)cc12
InChIInChI=1S/C11H16N4O/c1-8-6-9-10(12-4-3-5-16-2)13-7-14-11(9)15-8/h6-7H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyQPIVNYCAMXVJCW-UHFFFAOYSA-N
XLogP1.71
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-methoxypropyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-methoxypropyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 110430140) is N-(3-methoxypropyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-methoxypropyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-methoxypropyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is COCCCNc1ncnc2[nH]c(C)cc12.
What is the InChIKey of N-(3-methoxypropyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is QPIVNYCAMXVJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-8-6-9-10(12-4-3-5-16-2)13-7-14-11(9)15-8/h6-7H,3-5H2,1-2H3,(H2,12,13,14,15).
What are the key properties of N-(3-methoxypropyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(3-methoxypropyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 220.28 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110430140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).