2-benzyl-5H-pyrrolo[2,3-d]pyrimidin-4-amine

C13H12N4 — CID 149139739

IUPAC2-benzyl-5H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1nc(Cc2ccccc2)nc2c1CC=N2
InChIInChI=1S/C13H12N4/c14-12-10-6-7-15-13(10)17-11(16-12)8-9-4-2-1-3-5-9/h1-5,7H,6,8H2,(H2,14,16,17)
InChIKeyRHMZBXAYEVGFFX-UHFFFAOYSA-N
MW224.27 g/mol
LogP1.91
Rot. Bonds2

About 2-benzyl-5H-pyrrolo[2,3-d]pyrimidin-4-amine

2-benzyl-5H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 149139739) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-benzyl-5H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-benzyl-5H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID149139739
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name2-benzyl-5H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1nc(Cc2ccccc2)nc2c1CC=N2
InChIInChI=1S/C13H12N4/c14-12-10-6-7-15-13(10)17-11(16-12)8-9-4-2-1-3-5-9/h1-5,7H,6,8H2,(H2,14,16,17)
InChIKeyRHMZBXAYEVGFFX-UHFFFAOYSA-N
XLogP1.91
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-5-bromo-6-propan-2-ylpyrimidin-4-amine
CID 66300487
2-benzyl-7H-purin-6-amine
CID 15986830
2-benzyl-6-iodoquinazolin-4-amine
CID 163550533
2-benzyl-6-propan-2-ylpyrimidin-4-amine
CID 62192798
2-benzyl-4,6-dimethyl-1,3,5-triazine
CID 118594943
4-amino-2-benzyl-6-phenylpyrimidine-5-carboxamide
CID 90082540
2-benzyl-6-cyclopropylpyrimidin-4-amine
CID 63353479
(2-benzyl-4,6-dimethylpyrimidin-5-yl)methanamine
CID 28916465
4-benzyl-6-tert-butyl-1,3,5-triazin-2-amine
CID 63868198
5,6-dibenzylpyridine-2,3,4-triamine
CID 19038977
(2-benzyl-1,3-thiazol-4-yl)methanethiol
CID 39099745
2-benzylpyrimidine
CID 13143744

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-benzyl-5H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 149139739) is 2-benzyl-5H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-benzyl-5H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-benzyl-5H-pyrrolo[2,3-d]pyrimidin-4-amine is Nc1nc(Cc2ccccc2)nc2c1CC=N2.
What is the InChIKey of 2-benzyl-5H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is RHMZBXAYEVGFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c14-12-10-6-7-15-13(10)17-11(16-12)8-9-4-2-1-3-5-9/h1-5,7H,6,8H2,(H2,14,16,17).
What are the key properties of 2-benzyl-5H-pyrrolo[2,3-d]pyrimidin-4-amine?
2-benzyl-5H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 224.27 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 149139739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).