7-benzyl-5-[2-(2-chlorophenyl)ethyl]-4-methylpyrrolo[2,3-d]pyrimidin-2-amine

C22H21ClN4 — CID 56663245

IUPAC7-benzyl-5-[2-(2-chlorophenyl)ethyl]-4-methylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1nc(N)nc2c1c(CCc1ccccc1Cl)cn2Cc1ccccc1
InChIInChI=1S/C22H21ClN4/c1-15-20-18(12-11-17-9-5-6-10-19(17)23)14-27(21(20)26-22(24)25-15)13-16-7-3-2-4-8-16/h2-10,14H,11-13H2,1H3,(H2,24,25,26)
InChIKeyQWMBFDASGKYDOU-UHFFFAOYSA-N
MW376.89 g/mol
LogP4.81
Rot. Bonds5

About 7-benzyl-5-[2-(2-chlorophenyl)ethyl]-4-methylpyrrolo[2,3-d]pyrimidin-2-amine

7-benzyl-5-[2-(2-chlorophenyl)ethyl]-4-methylpyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 56663245) has the molecular formula C22H21ClN4 and a molecular weight of 376.89 g/mol. Its IUPAC name is 7-benzyl-5-[2-(2-chlorophenyl)ethyl]-4-methylpyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-benzyl-5-[2-(2-chlorophenyl)ethyl]-4-methylpyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID56663245
Molecular FormulaC22H21ClN4
Molecular Weight376.89 g/mol
Exact Mass376.15
IUPAC Name7-benzyl-5-[2-(2-chlorophenyl)ethyl]-4-methylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1nc(N)nc2c1c(CCc1ccccc1Cl)cn2Cc1ccccc1
InChIInChI=1S/C22H21ClN4/c1-15-20-18(12-11-17-9-5-6-10-19(17)23)14-27(21(20)26-22(24)25-15)13-16-7-3-2-4-8-16/h2-10,14H,11-13H2,1H3,(H2,24,25,26)
InChIKeyQWMBFDASGKYDOU-UHFFFAOYSA-N
XLogP4.81
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-5-[2-(2-chlorophenyl)ethyl]-4-methylpyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 7-benzyl-5-[2-(2-chlorophenyl)ethyl]-4-methylpyrrolo[2,3-d]pyrimidin-2-amine (CID 56663245) is 7-benzyl-5-[2-(2-chlorophenyl)ethyl]-4-methylpyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 7-benzyl-5-[2-(2-chlorophenyl)ethyl]-4-methylpyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 7-benzyl-5-[2-(2-chlorophenyl)ethyl]-4-methylpyrrolo[2,3-d]pyrimidin-2-amine is Cc1nc(N)nc2c1c(CCc1ccccc1Cl)cn2Cc1ccccc1.
What is the InChIKey of 7-benzyl-5-[2-(2-chlorophenyl)ethyl]-4-methylpyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is QWMBFDASGKYDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4/c1-15-20-18(12-11-17-9-5-6-10-19(17)23)14-27(21(20)26-22(24)25-15)13-16-7-3-2-4-8-16/h2-10,14H,11-13H2,1H3,(H2,24,25,26).
What are the key properties of 7-benzyl-5-[2-(2-chlorophenyl)ethyl]-4-methylpyrrolo[2,3-d]pyrimidin-2-amine?
7-benzyl-5-[2-(2-chlorophenyl)ethyl]-4-methylpyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 376.89 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-5-[2-(2-chlorophenyl)ethyl]-4-methylpyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 56663245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).