2-(3-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C18H17ClN6 — CID 10215487

IUPAC2-(3-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCCc3cnc[nH]3)nc(-c3cccc(Cl)c3)nc2[nH]1
InChIInChI=1S/C18H17ClN6/c1-11-7-15-17(21-6-5-14-9-20-10-22-14)24-16(25-18(15)23-11)12-3-2-4-13(19)8-12/h2-4,7-10H,5-6H2,1H3,(H,20,22)(H2,21,23,24,25)
InChIKeyRCRHSKYZLKOCHK-UHFFFAOYSA-N
MW352.83 g/mol
LogP3.96
Rot. Bonds5

About 2-(3-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

2-(3-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 10215487) has the molecular formula C18H17ClN6 and a molecular weight of 352.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID10215487
Molecular FormulaC18H17ClN6
Molecular Weight352.83 g/mol
Exact Mass352.12
IUPAC Name2-(3-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCCc3cnc[nH]3)nc(-c3cccc(Cl)c3)nc2[nH]1
InChIInChI=1S/C18H17ClN6/c1-11-7-15-17(21-6-5-14-9-20-10-22-14)24-16(25-18(15)23-11)12-3-2-4-13(19)8-12/h2-4,7-10H,5-6H2,1H3,(H,20,22)(H2,21,23,24,25)
InChIKeyRCRHSKYZLKOCHK-UHFFFAOYSA-N
XLogP3.96
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(3-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 10215487) is 2-(3-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(3-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1cc2c(NCCc3cnc[nH]3)nc(-c3cccc(Cl)c3)nc2[nH]1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is RCRHSKYZLKOCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6/c1-11-7-15-17(21-6-5-14-9-20-10-22-14)24-16(25-18(15)23-11)12-3-2-4-13(19)8-12/h2-4,7-10H,5-6H2,1H3,(H,20,22)(H2,21,23,24,25).
What are the key properties of 2-(3-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
2-(3-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 352.83 g/mol, XLogP of 3.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 10215487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).