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'}

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Related Compounds

6-methyl-N-(3-propan-2-yloxypropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430251
N-butyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430104
N',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,3-diamine
CID 110430335
N-(3-methoxypropyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430658
4-N-(3-methoxypropyl)-5-methylpyrimidine-4,6-diamine
CID 80772369
N',N'-diethyl-N-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 110430242
4-N-(3-methoxypropyl)quinazoline-4,7-diamine
CID 65337295
N-[2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]acetamide
CID 110430172
6-methyl-N-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430105
N-[(2,6-dimethoxyphenyl)methyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 164985861
2-methyl-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 110430143
N-butyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-chloro-6-methyl-7H-pyrrolo[2,3-d]pyrimidine;6-chloro-7H-purine
CID 165069185

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).