5-benzyl-7-ethylpyrrolo[2,3-d]pyrimidin-4-amine

C15H16N4 — CID 161037296

IUPAC5-benzyl-7-ethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCn1cc(Cc2ccccc2)c2c(N)ncnc21
InChIInChI=1S/C15H16N4/c1-2-19-9-12(8-11-6-4-3-5-7-11)13-14(16)17-10-18-15(13)19/h3-7,9-10H,2,8H2,1H3,(H2,16,17,18)
InChIKeyJDMLRUUZRRJDOD-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.62
Rot. Bonds3

About 5-benzyl-7-ethylpyrrolo[2,3-d]pyrimidin-4-amine

5-benzyl-7-ethylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 161037296) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-benzyl-7-ethylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-benzyl-7-ethylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID161037296
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name5-benzyl-7-ethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCn1cc(Cc2ccccc2)c2c(N)ncnc21
InChIInChI=1S/C15H16N4/c1-2-19-9-12(8-11-6-4-3-5-7-11)13-14(16)17-10-18-15(13)19/h3-7,9-10H,2,8H2,1H3,(H2,16,17,18)
InChIKeyJDMLRUUZRRJDOD-UHFFFAOYSA-N
XLogP2.62
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-ethyl-5-(thiophen-3-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 161462780
CID 161462779
CID 161462779
5-benzyl-7-tert-butylpyrrolo[2,3-d]pyrimidin-4-amine;ethane
CID 158005663
3-benzyl-1-ethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 159423289
7-ethyl-5-iodopyrrolo[2,3-d]pyrimidin-4-amine
CID 68784661
CID 162216003
CID 162216003
4-amino-8-ethylpyrido[2,3-d]pyrimidin-5-one
CID 163553264
7-ethyl-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 123767193
5-phenyl-7-(2-phenylmethoxyethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 11646472
4-amino-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 510418
7-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 57308498
3-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 57350625

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-7-ethylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-benzyl-7-ethylpyrrolo[2,3-d]pyrimidin-4-amine (CID 161037296) is 5-benzyl-7-ethylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-benzyl-7-ethylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-benzyl-7-ethylpyrrolo[2,3-d]pyrimidin-4-amine is CCn1cc(Cc2ccccc2)c2c(N)ncnc21.
What is the InChIKey of 5-benzyl-7-ethylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is JDMLRUUZRRJDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-2-19-9-12(8-11-6-4-3-5-7-11)13-14(16)17-10-18-15(13)19/h3-7,9-10H,2,8H2,1H3,(H2,16,17,18).
What are the key properties of 5-benzyl-7-ethylpyrrolo[2,3-d]pyrimidin-4-amine?
5-benzyl-7-ethylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 252.32 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-7-ethylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 161037296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).