5-ethyl-N-(1H-indol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C17H17N5 — CID 166336926

IUPAC5-ethyl-N-(1H-indol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCc1c[nH]c2ncnc(NCc3cc4ccccc4[nH]3)c12
InChIInChI=1S/C17H17N5/c1-2-11-8-18-16-15(11)17(21-10-20-16)19-9-13-7-12-5-3-4-6-14(12)22-13/h3-8,10,22H,2,9H2,1H3,(H2,18,19,20,21)
InChIKeyCUPJCVCEUCTEJV-UHFFFAOYSA-N
MW291.36 g/mol
LogP3.61
Rot. Bonds4

About 5-ethyl-N-(1H-indol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

5-ethyl-N-(1H-indol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 166336926) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is 5-ethyl-N-(1H-indol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-N-(1H-indol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID166336926
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name5-ethyl-N-(1H-indol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCc1c[nH]c2ncnc(NCc3cc4ccccc4[nH]3)c12
InChIInChI=1S/C17H17N5/c1-2-11-8-18-16-15(11)17(21-10-20-16)19-9-13-7-12-5-3-4-6-14(12)22-13/h3-8,10,22H,2,9H2,1H3,(H2,18,19,20,21)
InChIKeyCUPJCVCEUCTEJV-UHFFFAOYSA-N
XLogP3.61
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(1H-indol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-ethyl-N-(1H-indol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 166336926) is 5-ethyl-N-(1H-indol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-N-(1H-indol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-N-(1H-indol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CCc1c[nH]c2ncnc(NCc3cc4ccccc4[nH]3)c12.
What is the InChIKey of 5-ethyl-N-(1H-indol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is CUPJCVCEUCTEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5/c1-2-11-8-18-16-15(11)17(21-10-20-16)19-9-13-7-12-5-3-4-6-14(12)22-13/h3-8,10,22H,2,9H2,1H3,(H2,18,19,20,21).
What are the key properties of 5-ethyl-N-(1H-indol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
5-ethyl-N-(1H-indol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 291.36 g/mol, XLogP of 3.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(1H-indol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 166336926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).