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

C19H15ClN4 — CID 10616753

IUPACN-(3-chlorophenyl)-6-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1[nH]c2ncnc(Nc3cccc(Cl)c3)c2c1-c1ccccc1
InChIInChI=1S/C19H15ClN4/c1-12-16(13-6-3-2-4-7-13)17-18(23-12)21-11-22-19(17)24-15-9-5-8-14(20)10-15/h2-11H,1H3,(H2,21,22,23,24)
InChIKeyRFZCRPOSLBJMCF-UHFFFAOYSA-N
MW334.81 g/mol
LogP5.33
Rot. Bonds3

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

N-(3-chlorophenyl)-6-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 10616753) has the molecular formula C19H15ClN4 and a molecular weight of 334.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID10616753
Molecular FormulaC19H15ClN4
Molecular Weight334.81 g/mol
Exact Mass334.10
IUPAC NameN-(3-chlorophenyl)-6-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1[nH]c2ncnc(Nc3cccc(Cl)c3)c2c1-c1ccccc1
InChIInChI=1S/C19H15ClN4/c1-12-16(13-6-3-2-4-7-13)17-18(23-12)21-11-22-19(17)24-15-9-5-8-14(20)10-15/h2-11H,1H3,(H2,21,22,23,24)
InChIKeyRFZCRPOSLBJMCF-UHFFFAOYSA-N
XLogP5.33
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.81
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-chlorophenyl)-6-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 10616753) is N-(3-chlorophenyl)-6-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)-6-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-chlorophenyl)-6-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1[nH]c2ncnc(Nc3cccc(Cl)c3)c2c1-c1ccccc1.
What is the InChIKey of N-(3-chlorophenyl)-6-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is RFZCRPOSLBJMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4/c1-12-16(13-6-3-2-4-7-13)17-18(23-12)21-11-22-19(17)24-15-9-5-8-14(20)10-15/h2-11H,1H3,(H2,21,22,23,24).
What are the key properties of N-(3-chlorophenyl)-6-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(3-chlorophenyl)-6-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 334.81 g/mol, XLogP of 5.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-methyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 10616753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).