7-[3-[[(6-methyl-2-pyridinyl)amino]methyl]cyclobutyl]-5-[3-(7-oxabicyclo[2.2.1]heptan-1-ylmethoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine

C30H34N6O2 — CID 67034843

IUPAC7-[3-[[(6-methyl-2-pyridinyl)amino]methyl]cyclobutyl]-5-[3-(7-oxabicyclo[2.2.1]heptan-1-ylmethoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cccc(NCC2CC(n3cc(-c4cccc(OCC56CCC(CC5)O6)c4)c4c(N)ncnc43)C2)n1
InChIInChI=1S/C30H34N6O2/c1-19-4-2-7-26(35-19)32-15-20-12-22(13-20)36-16-25(27-28(31)33-18-34-29(27)36)21-5-3-6-24(14-21)37-17-30-10-8-23(38-30)9-11-30/h2-7,14,16,18,20,22-23H,8-13,15,17H2,1H3,(H,32,35)(H2,31,33,34)
InChIKeyORPWAVHMTBELRL-UHFFFAOYSA-N
MW510.64 g/mol
LogP5.54
Rot. Bonds8

About 7-[3-[[(6-methyl-2-pyridinyl)amino]methyl]cyclobutyl]-5-[3-(7-oxabicyclo[2.2.1]heptan-1-ylmethoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine

7-[3-[[(6-methyl-2-pyridinyl)amino]methyl]cyclobutyl]-5-[3-(7-oxabicyclo[2.2.1]heptan-1-ylmethoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 67034843) has the molecular formula C30H34N6O2 and a molecular weight of 510.64 g/mol. Its IUPAC name is 7-[3-[[(6-methyl-2-pyridinyl)amino]methyl]cyclobutyl]-5-[3-(7-oxabicyclo[2.2.1]heptan-1-ylmethoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[3-[[(6-methyl-2-pyridinyl)amino]methyl]cyclobutyl]-5-[3-(7-oxabicyclo[2.2.1]heptan-1-ylmethoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID67034843
Molecular FormulaC30H34N6O2
Molecular Weight510.64 g/mol
Exact Mass510.27
IUPAC Name7-[3-[[(6-methyl-2-pyridinyl)amino]methyl]cyclobutyl]-5-[3-(7-oxabicyclo[2.2.1]heptan-1-ylmethoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cccc(NCC2CC(n3cc(-c4cccc(OCC56CCC(CC5)O6)c4)c4c(N)ncnc43)C2)n1
InChIInChI=1S/C30H34N6O2/c1-19-4-2-7-26(35-19)32-15-20-12-22(13-20)36-16-25(27-28(31)33-18-34-29(27)36)21-5-3-6-24(14-21)37-17-30-10-8-23(38-30)9-11-30/h2-7,14,16,18,20,22-23H,8-13,15,17H2,1H3,(H,32,35)(H2,31,33,34)
InChIKeyORPWAVHMTBELRL-UHFFFAOYSA-N
XLogP5.54
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.64
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-[3-[[(6-methyl-2-pyridinyl)amino]methyl]cyclobutyl]-5-[3-(7-oxabicyclo[2.2.1]heptan-1-ylmethoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[3-[[(6-methyl-2-pyridinyl)amino]methyl]cyclobutyl]-5-[3-(7-oxabicyclo[2.2.1]heptan-1-ylmethoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-[3-[[(6-methyl-2-pyridinyl)amino]methyl]cyclobutyl]-5-[3-(7-oxabicyclo[2.2.1]heptan-1-ylmethoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 67034843) is 7-[3-[[(6-methyl-2-pyridinyl)amino]methyl]cyclobutyl]-5-[3-(7-oxabicyclo[2.2.1]heptan-1-ylmethoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[3-[[(6-methyl-2-pyridinyl)amino]methyl]cyclobutyl]-5-[3-(7-oxabicyclo[2.2.1]heptan-1-ylmethoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-[3-[[(6-methyl-2-pyridinyl)amino]methyl]cyclobutyl]-5-[3-(7-oxabicyclo[2.2.1]heptan-1-ylmethoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine is Cc1cccc(NCC2CC(n3cc(-c4cccc(OCC56CCC(CC5)O6)c4)c4c(N)ncnc43)C2)n1.
What is the InChIKey of 7-[3-[[(6-methyl-2-pyridinyl)amino]methyl]cyclobutyl]-5-[3-(7-oxabicyclo[2.2.1]heptan-1-ylmethoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is ORPWAVHMTBELRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O2/c1-19-4-2-7-26(35-19)32-15-20-12-22(13-20)36-16-25(27-28(31)33-18-34-29(27)36)21-5-3-6-24(14-21)37-17-30-10-8-23(38-30)9-11-30/h2-7,14,16,18,20,22-23H,8-13,15,17H2,1H3,(H,32,35)(H2,31,33,34).
What are the key properties of 7-[3-[[(6-methyl-2-pyridinyl)amino]methyl]cyclobutyl]-5-[3-(7-oxabicyclo[2.2.1]heptan-1-ylmethoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine?
7-[3-[[(6-methyl-2-pyridinyl)amino]methyl]cyclobutyl]-5-[3-(7-oxabicyclo[2.2.1]heptan-1-ylmethoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 510.64 g/mol, XLogP of 5.54, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[[(6-methyl-2-pyridinyl)amino]methyl]cyclobutyl]-5-[3-(7-oxabicyclo[2.2.1]heptan-1-ylmethoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 67034843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).