N,N-dimethyl-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-amine

C14H15N5 — CID 70721184

IUPACN,N-dimethyl-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-amine
SMILESCN(C)c1cc(-c2ccnc3c2ccn3C)ncn1
InChIInChI=1S/C14H15N5/c1-18(2)13-8-12(16-9-17-13)10-4-6-15-14-11(10)5-7-19(14)3/h4-9H,1-3H3
InChIKeyCOXNAFXKWFSJOX-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.10
Rot. Bonds2

About N,N-dimethyl-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-amine

N,N-dimethyl-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-amine (PubChem CID 70721184) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is N,N-dimethyl-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-amine
PubChem CID70721184
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC NameN,N-dimethyl-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-amine
SMILESCN(C)c1cc(-c2ccnc3c2ccn3C)ncn1
InChIInChI=1S/C14H15N5/c1-18(2)13-8-12(16-9-17-13)10-4-6-15-14-11(10)5-7-19(14)3/h4-9H,1-3H3
InChIKeyCOXNAFXKWFSJOX-UHFFFAOYSA-N
XLogP2.10
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-amine (CID 70721184) is N,N-dimethyl-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-amine is CN(C)c1cc(-c2ccnc3c2ccn3C)ncn1.
What is the InChIKey of N,N-dimethyl-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-amine?
The InChIKey is COXNAFXKWFSJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-18(2)13-8-12(16-9-17-13)10-4-6-15-14-11(10)5-7-19(14)3/h4-9H,1-3H3.
What are the key properties of N,N-dimethyl-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-amine?
N,N-dimethyl-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-amine has a molecular weight of 253.31 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 70721184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).