2,4-dichloro-8-(4-chlorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine

C13H9Cl3N2O — CID 58075400

IUPAC2,4-dichloro-8-(4-chlorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESClc1ccc(C2COCc3c(Cl)nc(Cl)nc32)cc1
InChIInChI=1S/C13H9Cl3N2O/c14-8-3-1-7(2-4-8)9-5-19-6-10-11(9)17-13(16)18-12(10)15/h1-4,9H,5-6H2
InChIKeyNBKDUEOOHAEUSN-UHFFFAOYSA-N
MW315.59 g/mol
LogP4.10
Rot. Bonds1

About 2,4-dichloro-8-(4-chlorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine

2,4-dichloro-8-(4-chlorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (PubChem CID 58075400) has the molecular formula C13H9Cl3N2O and a molecular weight of 315.59 g/mol. Its IUPAC name is 2,4-dichloro-8-(4-chlorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-8-(4-chlorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
PubChem CID58075400
Molecular FormulaC13H9Cl3N2O
Molecular Weight315.59 g/mol
Exact Mass313.98
IUPAC Name2,4-dichloro-8-(4-chlorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESClc1ccc(C2COCc3c(Cl)nc(Cl)nc32)cc1
InChIInChI=1S/C13H9Cl3N2O/c14-8-3-1-7(2-4-8)9-5-19-6-10-11(9)17-13(16)18-12(10)15/h1-4,9H,5-6H2
InChIKeyNBKDUEOOHAEUSN-UHFFFAOYSA-N
XLogP4.10
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.59
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(8Z)-4-(3-chlorophenyl)-8-[(3-chlorophenyl)methylene]-5H-pyrano[4,3-d]pyrimidin-2-amine
CID 5469514
(8Z)-4-(2-chlorophenyl)-8-[(2-chlorophenyl)methylidene]-5H-pyrano[4,3-d]pyrimidin-2-amine
CID 5469515
(8E)-4-(2-chlorophenyl)-8-[(2-chlorophenyl)methylene]-5H-pyrano[4,3-d]pyrimidin-2-amine
CID 5799665
2,4-Dichloro-8-(4-fluorophenyl)-7,8-dihydro-5H-pyrano[4,3-D]pyrimidine
CID 58075255
2-chloro-N-ethyl-8-(4-fluorophenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 58075316
2-chloro-8-(3,4-difluorophenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 58075322
2-chloro-8-(4-fluorophenyl)-4-[(3R)-3-fluoropyrrolidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 58075458
2,4-dichloro-8-(4-(trifluoromethyl)phenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 58075462
2,4-dichloro-8-(4-fluorophenyl)-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine
CID 58075481
2-chloro-8-(4-fluorophenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 58075510
2-chloro-N-ethyl-8-(4-fluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 58075517
2,4-dichloro-8-(3,4-difluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 58075539

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-8-(4-chlorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The IUPAC name of 2,4-dichloro-8-(4-chlorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (CID 58075400) is 2,4-dichloro-8-(4-chlorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-8-(4-chlorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The canonical SMILES for 2,4-dichloro-8-(4-chlorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is Clc1ccc(C2COCc3c(Cl)nc(Cl)nc32)cc1.
What is the InChIKey of 2,4-dichloro-8-(4-chlorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The InChIKey is NBKDUEOOHAEUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3N2O/c14-8-3-1-7(2-4-8)9-5-19-6-10-11(9)17-13(16)18-12(10)15/h1-4,9H,5-6H2.
What are the key properties of 2,4-dichloro-8-(4-chlorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
2,4-dichloro-8-(4-chlorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine has a molecular weight of 315.59 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-8-(4-chlorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is sourced from PubChem (CID 58075400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).