N-(3-chlorophenyl)-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C24H17ClN4 — CID 10692159

IUPACN-(3-chlorophenyl)-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESClc1cccc(Nc2ncnc3[nH]c(-c4ccccc4)c(-c4ccccc4)c23)c1
InChIInChI=1S/C24H17ClN4/c25-18-12-7-13-19(14-18)28-23-21-20(16-8-3-1-4-9-16)22(17-10-5-2-6-11-17)29-24(21)27-15-26-23/h1-15H,(H2,26,27,28,29)
InChIKeyUYXXIXVMSUKWBN-UHFFFAOYSA-N
MW396.88 g/mol
LogP6.69
Rot. Bonds4

About N-(3-chlorophenyl)-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-(3-chlorophenyl)-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 10692159) has the molecular formula C24H17ClN4 and a molecular weight of 396.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID10692159
Molecular FormulaC24H17ClN4
Molecular Weight396.88 g/mol
Exact Mass396.11
IUPAC NameN-(3-chlorophenyl)-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESClc1cccc(Nc2ncnc3[nH]c(-c4ccccc4)c(-c4ccccc4)c23)c1
InChIInChI=1S/C24H17ClN4/c25-18-12-7-13-19(14-18)28-23-21-20(16-8-3-1-4-9-16)22(17-10-5-2-6-11-17)29-24(21)27-15-26-23/h1-15H,(H2,26,27,28,29)
InChIKeyUYXXIXVMSUKWBN-UHFFFAOYSA-N
XLogP6.69
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.88
LogP ≤ 56.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-chlorophenyl)-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 10692159) is N-(3-chlorophenyl)-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-chlorophenyl)-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Clc1cccc(Nc2ncnc3[nH]c(-c4ccccc4)c(-c4ccccc4)c23)c1.
What is the InChIKey of N-(3-chlorophenyl)-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is UYXXIXVMSUKWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN4/c25-18-12-7-13-19(14-18)28-23-21-20(16-8-3-1-4-9-16)22(17-10-5-2-6-11-17)29-24(21)27-15-26-23/h1-15H,(H2,26,27,28,29).
What are the key properties of N-(3-chlorophenyl)-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(3-chlorophenyl)-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 396.88 g/mol, XLogP of 6.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 10692159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).