N-cyclohexyl-5-(3,5-dichloro-4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C19H20Cl2N4 — CID 153397118

IUPACN-cyclohexyl-5-(3,5-dichloro-4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(Cl)cc(-c2c[nH]c3ncnc(NC4CCCCC4)c23)cc1Cl
InChIInChI=1S/C19H20Cl2N4/c1-11-15(20)7-12(8-16(11)21)14-9-22-18-17(14)19(24-10-23-18)25-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,22,23,24,25)
InChIKeyFJSFJHHFRHGNSS-UHFFFAOYSA-N
MW375.30 g/mol
LogP5.98
Rot. Bonds3

About N-cyclohexyl-5-(3,5-dichloro-4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-cyclohexyl-5-(3,5-dichloro-4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 153397118) has the molecular formula C19H20Cl2N4 and a molecular weight of 375.30 g/mol. Its IUPAC name is N-cyclohexyl-5-(3,5-dichloro-4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-(3,5-dichloro-4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID153397118
Molecular FormulaC19H20Cl2N4
Molecular Weight375.30 g/mol
Exact Mass374.11
IUPAC NameN-cyclohexyl-5-(3,5-dichloro-4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(Cl)cc(-c2c[nH]c3ncnc(NC4CCCCC4)c23)cc1Cl
InChIInChI=1S/C19H20Cl2N4/c1-11-15(20)7-12(8-16(11)21)14-9-22-18-17(14)19(24-10-23-18)25-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,22,23,24,25)
InChIKeyFJSFJHHFRHGNSS-UHFFFAOYSA-N
XLogP5.98
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.30
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(3,5-dichloro-4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-cyclohexyl-5-(3,5-dichloro-4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 153397118) is N-cyclohexyl-5-(3,5-dichloro-4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-cyclohexyl-5-(3,5-dichloro-4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-cyclohexyl-5-(3,5-dichloro-4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1c(Cl)cc(-c2c[nH]c3ncnc(NC4CCCCC4)c23)cc1Cl.
What is the InChIKey of N-cyclohexyl-5-(3,5-dichloro-4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is FJSFJHHFRHGNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4/c1-11-15(20)7-12(8-16(11)21)14-9-22-18-17(14)19(24-10-23-18)25-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,22,23,24,25).
What are the key properties of N-cyclohexyl-5-(3,5-dichloro-4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-cyclohexyl-5-(3,5-dichloro-4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 375.30 g/mol, XLogP of 5.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(3,5-dichloro-4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 153397118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).