N,N-dimethyl-1-[3-[2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-pyridin-3-yl-4H-pyridin-3-yl]methanamine

C25H25N7 — CID 68932815

IUPACN,N-dimethyl-1-[3-[2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-pyridin-3-yl-4H-pyridin-3-yl]methanamine
SMILESCc1cccc(-c2nc(C3(CN(C)C)C=NC=C(c4cccnc4)C3)c3cc[nH]c3n2)n1
InChIInChI=1S/C25H25N7/c1-17-6-4-8-21(29-17)24-30-22(20-9-11-28-23(20)31-24)25(16-32(2)3)12-19(14-27-15-25)18-7-5-10-26-13-18/h4-11,13-15H,12,16H2,1-3H3,(H,28,30,31)
InChIKeyMYIWGTBWBCFNCT-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.04
Rot. Bonds5

About N,N-dimethyl-1-[3-[2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-pyridin-3-yl-4H-pyridin-3-yl]methanamine

N,N-dimethyl-1-[3-[2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-pyridin-3-yl-4H-pyridin-3-yl]methanamine (PubChem CID 68932815) has the molecular formula C25H25N7 and a molecular weight of 423.52 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-[2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-pyridin-3-yl-4H-pyridin-3-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-[2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-pyridin-3-yl-4H-pyridin-3-yl]methanamine
PubChem CID68932815
Molecular FormulaC25H25N7
Molecular Weight423.52 g/mol
Exact Mass423.22
IUPAC NameN,N-dimethyl-1-[3-[2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-pyridin-3-yl-4H-pyridin-3-yl]methanamine
SMILESCc1cccc(-c2nc(C3(CN(C)C)C=NC=C(c4cccnc4)C3)c3cc[nH]c3n2)n1
InChIInChI=1S/C25H25N7/c1-17-6-4-8-21(29-17)24-30-22(20-9-11-28-23(20)31-24)25(16-32(2)3)12-19(14-27-15-25)18-7-5-10-26-13-18/h4-11,13-15H,12,16H2,1-3H3,(H,28,30,31)
InChIKeyMYIWGTBWBCFNCT-UHFFFAOYSA-N
XLogP4.04
TPSA82.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-1-[3-[2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-pyridin-3-yl-4H-pyridin-3-yl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-[2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-pyridin-3-yl-4H-pyridin-3-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[3-[2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-pyridin-3-yl-4H-pyridin-3-yl]methanamine (CID 68932815) is N,N-dimethyl-1-[3-[2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-pyridin-3-yl-4H-pyridin-3-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[3-[2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-pyridin-3-yl-4H-pyridin-3-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[3-[2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-pyridin-3-yl-4H-pyridin-3-yl]methanamine is Cc1cccc(-c2nc(C3(CN(C)C)C=NC=C(c4cccnc4)C3)c3cc[nH]c3n2)n1.
What is the InChIKey of N,N-dimethyl-1-[3-[2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-pyridin-3-yl-4H-pyridin-3-yl]methanamine?
The InChIKey is MYIWGTBWBCFNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7/c1-17-6-4-8-21(29-17)24-30-22(20-9-11-28-23(20)31-24)25(16-32(2)3)12-19(14-27-15-25)18-7-5-10-26-13-18/h4-11,13-15H,12,16H2,1-3H3,(H,28,30,31).
What are the key properties of N,N-dimethyl-1-[3-[2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-pyridin-3-yl-4H-pyridin-3-yl]methanamine?
N,N-dimethyl-1-[3-[2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-pyridin-3-yl-4H-pyridin-3-yl]methanamine has a molecular weight of 423.52 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-[2-(6-methyl-2-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-pyridin-3-yl-4H-pyridin-3-yl]methanamine is sourced from PubChem (CID 68932815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).