2-(4-methoxyphenyl)-5-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole

C21H24N4OS — CID 24915111

IUPAC2-(4-methoxyphenyl)-5-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
SMILESCCCc1ncc2c(n1)CCN(Cc1cnc(-c3ccc(OC)cc3)s1)C2
InChIInChI=1S/C21H24N4OS/c1-3-4-20-22-11-16-13-25(10-9-19(16)24-20)14-18-12-23-21(27-18)15-5-7-17(26-2)8-6-15/h5-8,11-12H,3-4,9-10,13-14H2,1-2H3
InChIKeyDDFANOOIIIFQLX-UHFFFAOYSA-N
MW380.52 g/mol
LogP4.12
Rot. Bonds6

About 2-(4-methoxyphenyl)-5-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole

2-(4-methoxyphenyl)-5-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole (PubChem CID 24915111) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
PubChem CID24915111
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name2-(4-methoxyphenyl)-5-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
SMILESCCCc1ncc2c(n1)CCN(Cc1cnc(-c3ccc(OC)cc3)s1)C2
InChIInChI=1S/C21H24N4OS/c1-3-4-20-22-11-16-13-25(10-9-19(16)24-20)14-18-12-23-21(27-18)15-5-7-17(26-2)8-6-15/h5-8,11-12H,3-4,9-10,13-14H2,1-2H3
InChIKeyDDFANOOIIIFQLX-UHFFFAOYSA-N
XLogP4.12
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24915108
2-(4-methoxyphenyl)-5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
CID 24915113
6-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24917459
6-[(2,7-dimethoxyquinolin-3-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916182
1-[5-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thiophen-2-yl]ethanone
CID 24910974
5-[(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-phenyl-1,3-thiazole
CID 24914870
6-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24915087
6-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914775
6-[[5-(2-methylphenyl)thiophen-2-yl]methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915594
4-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 24917147
6-[(2,3-dimethoxyphenyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928302
5-methyl-3-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole
CID 24916056

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-(4-methoxyphenyl)-5-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole (CID 24915111) is 2-(4-methoxyphenyl)-5-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole is CCCc1ncc2c(n1)CCN(Cc1cnc(-c3ccc(OC)cc3)s1)C2.
What is the InChIKey of 2-(4-methoxyphenyl)-5-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole?
The InChIKey is DDFANOOIIIFQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-3-4-20-22-11-16-13-25(10-9-19(16)24-20)14-18-12-23-21(27-18)15-5-7-17(26-2)8-6-15/h5-8,11-12H,3-4,9-10,13-14H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-5-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole?
2-(4-methoxyphenyl)-5-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole has a molecular weight of 380.52 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 24915111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).