4-ethyl-6-(4-methylsulfanylphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C21H22N4S — CID 155106997

IUPAC4-ethyl-6-(4-methylsulfanylphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCc1nc(-c2ccccn2)nc2c1CN(c1ccc(SC)cc1)CC2
InChIInChI=1S/C21H22N4S/c1-3-18-17-14-25(15-7-9-16(26-2)10-8-15)13-11-19(17)24-21(23-18)20-6-4-5-12-22-20/h4-10,12H,3,11,13-14H2,1-2H3
InChIKeyZJGKZOALMHLKES-UHFFFAOYSA-N
MW362.50 g/mol
LogP4.39
Rot. Bonds4

About 4-ethyl-6-(4-methylsulfanylphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

4-ethyl-6-(4-methylsulfanylphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 155106997) has the molecular formula C21H22N4S and a molecular weight of 362.50 g/mol. Its IUPAC name is 4-ethyl-6-(4-methylsulfanylphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-ethyl-6-(4-methylsulfanylphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID155106997
Molecular FormulaC21H22N4S
Molecular Weight362.50 g/mol
Exact Mass362.16
IUPAC Name4-ethyl-6-(4-methylsulfanylphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCc1nc(-c2ccccn2)nc2c1CN(c1ccc(SC)cc1)CC2
InChIInChI=1S/C21H22N4S/c1-3-18-17-14-25(15-7-9-16(26-2)10-8-15)13-11-19(17)24-21(23-18)20-6-4-5-12-22-20/h4-10,12H,3,11,13-14H2,1-2H3
InChIKeyZJGKZOALMHLKES-UHFFFAOYSA-N
XLogP4.39
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-(4-methylsulfanylphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 4-ethyl-6-(4-methylsulfanylphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 155106997) is 4-ethyl-6-(4-methylsulfanylphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-ethyl-6-(4-methylsulfanylphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-ethyl-6-(4-methylsulfanylphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCc1nc(-c2ccccn2)nc2c1CN(c1ccc(SC)cc1)CC2.
What is the InChIKey of 4-ethyl-6-(4-methylsulfanylphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is ZJGKZOALMHLKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4S/c1-3-18-17-14-25(15-7-9-16(26-2)10-8-15)13-11-19(17)24-21(23-18)20-6-4-5-12-22-20/h4-10,12H,3,11,13-14H2,1-2H3.
What are the key properties of 4-ethyl-6-(4-methylsulfanylphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
4-ethyl-6-(4-methylsulfanylphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 362.50 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(4-methylsulfanylphenyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 155106997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).