2,4-dichloro-6-(naphthalen-1-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine

C17H13Cl2N3 — CID 166056835

IUPAC2,4-dichloro-6-(naphthalen-1-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESClc1nc(Cl)c2c(n1)CN(Cc1cccc3ccccc13)C2
InChIInChI=1S/C17H13Cl2N3/c18-16-14-9-22(10-15(14)20-17(19)21-16)8-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10H2
InChIKeyORICDRPNMBNAPJ-UHFFFAOYSA-N
MW330.22 g/mol
LogP4.45
Rot. Bonds2

About 2,4-dichloro-6-(naphthalen-1-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine

2,4-dichloro-6-(naphthalen-1-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine (PubChem CID 166056835) has the molecular formula C17H13Cl2N3 and a molecular weight of 330.22 g/mol. Its IUPAC name is 2,4-dichloro-6-(naphthalen-1-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-6-(naphthalen-1-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine
PubChem CID166056835
Molecular FormulaC17H13Cl2N3
Molecular Weight330.22 g/mol
Exact Mass329.05
IUPAC Name2,4-dichloro-6-(naphthalen-1-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESClc1nc(Cl)c2c(n1)CN(Cc1cccc3ccccc13)C2
InChIInChI=1S/C17H13Cl2N3/c18-16-14-9-22(10-15(14)20-17(19)21-16)8-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10H2
InChIKeyORICDRPNMBNAPJ-UHFFFAOYSA-N
XLogP4.45
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(naphthalen-1-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2,4-dichloro-6-(naphthalen-1-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine (CID 166056835) is 2,4-dichloro-6-(naphthalen-1-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-6-(naphthalen-1-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2,4-dichloro-6-(naphthalen-1-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine is Clc1nc(Cl)c2c(n1)CN(Cc1cccc3ccccc13)C2.
What is the InChIKey of 2,4-dichloro-6-(naphthalen-1-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The InChIKey is ORICDRPNMBNAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3/c18-16-14-9-22(10-15(14)20-17(19)21-16)8-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10H2.
What are the key properties of 2,4-dichloro-6-(naphthalen-1-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine?
2,4-dichloro-6-(naphthalen-1-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine has a molecular weight of 330.22 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(naphthalen-1-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 166056835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).