2-chloro-8-(4-chlorophenyl)-N,N-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

C15H15Cl2N3O — CID 58075279

IUPAC2-chloro-8-(4-chlorophenyl)-N,N-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCN(C)c1nc(Cl)nc2c1COCC2c1ccc(Cl)cc1
InChIInChI=1S/C15H15Cl2N3O/c1-20(2)14-12-8-21-7-11(13(12)18-15(17)19-14)9-3-5-10(16)6-4-9/h3-6,11H,7-8H2,1-2H3
InChIKeyWJYVIVQSDFGRAR-UHFFFAOYSA-N
MW324.21 g/mol
LogP3.51
Rot. Bonds2

About 2-chloro-8-(4-chlorophenyl)-N,N-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

2-chloro-8-(4-chlorophenyl)-N,N-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 58075279) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is 2-chloro-8-(4-chlorophenyl)-N,N-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-8-(4-chlorophenyl)-N,N-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID58075279
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC Name2-chloro-8-(4-chlorophenyl)-N,N-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCN(C)c1nc(Cl)nc2c1COCC2c1ccc(Cl)cc1
InChIInChI=1S/C15H15Cl2N3O/c1-20(2)14-12-8-21-7-11(13(12)18-15(17)19-14)9-3-5-10(16)6-4-9/h3-6,11H,7-8H2,1-2H3
InChIKeyWJYVIVQSDFGRAR-UHFFFAOYSA-N
XLogP3.51
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-8-(4-chlorophenyl)-N,N-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

5-(3-Chlorophenyl)-6-(ethoxymethyl)pyrimidine-2,4-diamine
CID 309417
2-(4-Chlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)methyl]morpholine
CID 56878398
(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-Chlorophenyl)-4-[6-isopropyl-2-(trifluoromethyl)pyrimidin-4-YL]morpholine
CID 56861987
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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-(4-chlorophenyl)-N,N-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-8-(4-chlorophenyl)-N,N-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 58075279) is 2-chloro-8-(4-chlorophenyl)-N,N-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-8-(4-chlorophenyl)-N,N-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-8-(4-chlorophenyl)-N,N-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is CN(C)c1nc(Cl)nc2c1COCC2c1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-8-(4-chlorophenyl)-N,N-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is WJYVIVQSDFGRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c1-20(2)14-12-8-21-7-11(13(12)18-15(17)19-14)9-3-5-10(16)6-4-9/h3-6,11H,7-8H2,1-2H3.
What are the key properties of 2-chloro-8-(4-chlorophenyl)-N,N-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
2-chloro-8-(4-chlorophenyl)-N,N-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 324.21 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-(4-chlorophenyl)-N,N-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 58075279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).