5-ethyl-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine

C13H13N5 — CID 69243263

IUPAC5-ethyl-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
SMILESCCc1cnc(N)nc1-c1c[nH]c2cnccc12
InChIInChI=1S/C13H13N5/c1-2-8-5-17-13(14)18-12(8)10-6-16-11-7-15-4-3-9(10)11/h3-7,16H,2H2,1H3,(H2,14,17,18)
InChIKeyGJZQGKDGMQNRGQ-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.16
Rot. Bonds2

About 5-ethyl-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine

5-ethyl-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine (PubChem CID 69243263) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-ethyl-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-ethyl-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
PubChem CID69243263
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name5-ethyl-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
SMILESCCc1cnc(N)nc1-c1c[nH]c2cnccc12
InChIInChI=1S/C13H13N5/c1-2-8-5-17-13(14)18-12(8)10-6-16-11-7-15-4-3-9(10)11/h3-7,16H,2H2,1H3,(H2,14,17,18)
InChIKeyGJZQGKDGMQNRGQ-UHFFFAOYSA-N
XLogP2.16
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine?
The IUPAC name of 5-ethyl-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine (CID 69243263) is 5-ethyl-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-ethyl-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine?
The canonical SMILES for 5-ethyl-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine is CCc1cnc(N)nc1-c1c[nH]c2cnccc12.
What is the InChIKey of 5-ethyl-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine?
The InChIKey is GJZQGKDGMQNRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-2-8-5-17-13(14)18-12(8)10-6-16-11-7-15-4-3-9(10)11/h3-7,16H,2H2,1H3,(H2,14,17,18).
What are the key properties of 5-ethyl-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine?
5-ethyl-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine has a molecular weight of 239.28 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 69243263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).