7,7-dimethyl-2-(4-methylphenyl)-4-propylsulfanyl-5,8-dihydropyrano[4,3-d]pyrimidine

C19H24N2OS — CID 4905633

IUPAC7,7-dimethyl-2-(4-methylphenyl)-4-propylsulfanyl-5,8-dihydropyrano[4,3-d]pyrimidine
SMILESCCCSc1nc(-c2ccc(C)cc2)nc2c1COC(C)(C)C2
InChIInChI=1S/C19H24N2OS/c1-5-10-23-18-15-12-22-19(3,4)11-16(15)20-17(21-18)14-8-6-13(2)7-9-14/h6-9H,5,10-12H2,1-4H3
InChIKeyZPBDSQLVMGIHSE-UHFFFAOYSA-N
MW328.48 g/mol
LogP4.81
Rot. Bonds4

About 7,7-dimethyl-2-(4-methylphenyl)-4-propylsulfanyl-5,8-dihydropyrano[4,3-d]pyrimidine

7,7-dimethyl-2-(4-methylphenyl)-4-propylsulfanyl-5,8-dihydropyrano[4,3-d]pyrimidine (PubChem CID 4905633) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is 7,7-dimethyl-2-(4-methylphenyl)-4-propylsulfanyl-5,8-dihydropyrano[4,3-d]pyrimidine.

Molecular Properties

Compound Name7,7-dimethyl-2-(4-methylphenyl)-4-propylsulfanyl-5,8-dihydropyrano[4,3-d]pyrimidine
PubChem CID4905633
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name7,7-dimethyl-2-(4-methylphenyl)-4-propylsulfanyl-5,8-dihydropyrano[4,3-d]pyrimidine
SMILESCCCSc1nc(-c2ccc(C)cc2)nc2c1COC(C)(C)C2
InChIInChI=1S/C19H24N2OS/c1-5-10-23-18-15-12-22-19(3,4)11-16(15)20-17(21-18)14-8-6-13(2)7-9-14/h6-9H,5,10-12H2,1-4H3
InChIKeyZPBDSQLVMGIHSE-UHFFFAOYSA-N
XLogP4.81
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-(4-methylphenyl)-4-propylsulfanyl-5,8-dihydropyrano[4,3-d]pyrimidine?
The IUPAC name of 7,7-dimethyl-2-(4-methylphenyl)-4-propylsulfanyl-5,8-dihydropyrano[4,3-d]pyrimidine (CID 4905633) is 7,7-dimethyl-2-(4-methylphenyl)-4-propylsulfanyl-5,8-dihydropyrano[4,3-d]pyrimidine.
What is the SMILES notation for 7,7-dimethyl-2-(4-methylphenyl)-4-propylsulfanyl-5,8-dihydropyrano[4,3-d]pyrimidine?
The canonical SMILES for 7,7-dimethyl-2-(4-methylphenyl)-4-propylsulfanyl-5,8-dihydropyrano[4,3-d]pyrimidine is CCCSc1nc(-c2ccc(C)cc2)nc2c1COC(C)(C)C2.
What is the InChIKey of 7,7-dimethyl-2-(4-methylphenyl)-4-propylsulfanyl-5,8-dihydropyrano[4,3-d]pyrimidine?
The InChIKey is ZPBDSQLVMGIHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-5-10-23-18-15-12-22-19(3,4)11-16(15)20-17(21-18)14-8-6-13(2)7-9-14/h6-9H,5,10-12H2,1-4H3.
What are the key properties of 7,7-dimethyl-2-(4-methylphenyl)-4-propylsulfanyl-5,8-dihydropyrano[4,3-d]pyrimidine?
7,7-dimethyl-2-(4-methylphenyl)-4-propylsulfanyl-5,8-dihydropyrano[4,3-d]pyrimidine has a molecular weight of 328.48 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-(4-methylphenyl)-4-propylsulfanyl-5,8-dihydropyrano[4,3-d]pyrimidine is sourced from PubChem (CID 4905633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).