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

C13H13N5 — CID 138454304

IUPACN,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
SMILESCN(C)c1nccc(-c2c[nH]c3ncccc23)n1
InChIInChI=1S/C13H13N5/c1-18(2)13-15-7-5-11(17-13)10-8-16-12-9(10)4-3-6-14-12/h3-8H,1-2H3,(H,14,16)
InChIKeyJQRPUUYNOCHMQZ-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.09
Rot. Bonds2

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

N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine (PubChem CID 138454304) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
PubChem CID138454304
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC NameN,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
SMILESCN(C)c1nccc(-c2c[nH]c3ncccc23)n1
InChIInChI=1S/C13H13N5/c1-18(2)13-15-7-5-11(17-13)10-8-16-12-9(10)4-3-6-14-12/h3-8H,1-2H3,(H,14,16)
InChIKeyJQRPUUYNOCHMQZ-UHFFFAOYSA-N
XLogP2.09
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine (CID 138454304) is N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine is CN(C)c1nccc(-c2c[nH]c3ncccc23)n1.
What is the InChIKey of N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The InChIKey is JQRPUUYNOCHMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-18(2)13-15-7-5-11(17-13)10-8-16-12-9(10)4-3-6-14-12/h3-8H,1-2H3,(H,14,16).
What are the key properties of N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine has a molecular weight of 239.28 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 138454304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).