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

C14H13Cl2N3 — CID 170724844

IUPAC2,4-dichloro-7-(2-phenylethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine
SMILESClc1nc(Cl)c2c(n1)N(CCc1ccccc1)CC2
InChIInChI=1S/C14H13Cl2N3/c15-12-11-7-9-19(13(11)18-14(16)17-12)8-6-10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKeyPHPUDGDMAWJPMN-UHFFFAOYSA-N
MW294.19 g/mol
LogP3.39
Rot. Bonds3

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

2,4-dichloro-7-(2-phenylethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine (PubChem CID 170724844) has the molecular formula C14H13Cl2N3 and a molecular weight of 294.19 g/mol. Its IUPAC name is 2,4-dichloro-7-(2-phenylethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-7-(2-phenylethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine
PubChem CID170724844
Molecular FormulaC14H13Cl2N3
Molecular Weight294.19 g/mol
Exact Mass293.05
IUPAC Name2,4-dichloro-7-(2-phenylethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine
SMILESClc1nc(Cl)c2c(n1)N(CCc1ccccc1)CC2
InChIInChI=1S/C14H13Cl2N3/c15-12-11-7-9-19(13(11)18-14(16)17-12)8-6-10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKeyPHPUDGDMAWJPMN-UHFFFAOYSA-N
XLogP3.39
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-7-(2-phenylethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2,4-dichloro-7-(2-phenylethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine (CID 170724844) is 2,4-dichloro-7-(2-phenylethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-7-(2-phenylethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2,4-dichloro-7-(2-phenylethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine is Clc1nc(Cl)c2c(n1)N(CCc1ccccc1)CC2.
What is the InChIKey of 2,4-dichloro-7-(2-phenylethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine?
The InChIKey is PHPUDGDMAWJPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3/c15-12-11-7-9-19(13(11)18-14(16)17-12)8-6-10-4-2-1-3-5-10/h1-5H,6-9H2.
What are the key properties of 2,4-dichloro-7-(2-phenylethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine?
2,4-dichloro-7-(2-phenylethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine has a molecular weight of 294.19 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-7-(2-phenylethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 170724844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).