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

C18H19N5OS — CID 24917459

IUPAC6-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCOc1cccc(-c2ncc(CN3CCc4nc(N)ncc4C3)s2)c1
InChIInChI=1S/C18H19N5OS/c1-24-14-4-2-3-12(7-14)17-20-9-15(25-17)11-23-6-5-16-13(10-23)8-21-18(19)22-16/h2-4,7-9H,5-6,10-11H2,1H3,(H2,19,21,22)
InChIKeyZOBLBVLDAXKAIF-UHFFFAOYSA-N
MW353.45 g/mol
LogP2.75
Rot. Bonds4

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

6-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 24917459) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is 6-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
PubChem CID24917459
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name6-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCOc1cccc(-c2ncc(CN3CCc4nc(N)ncc4C3)s2)c1
InChIInChI=1S/C18H19N5OS/c1-24-14-4-2-3-12(7-14)17-20-9-15(25-17)11-23-6-5-16-13(10-23)8-21-18(19)22-16/h2-4,7-9H,5-6,10-11H2,1H3,(H2,19,21,22)
InChIKeyZOBLBVLDAXKAIF-UHFFFAOYSA-N
XLogP2.75
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
6-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24915087
2-(4-methoxyphenyl)-5-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
CID 24915111
6-[[5-(3-methoxyphenyl)thiophen-2-yl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915647
5-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazol-2-amine
CID 24912252
2-(4-methoxyphenyl)-5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
CID 24915113
5-[(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-phenyl-1,3-thiazole
CID 24914870
5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)-1,3-thiazole
CID 77090810
6-[(2,4,6-trimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24928488
2-cyclohexyl-6-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947628
6-[(2-methoxy-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24913806
4-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-methylpiperazine-2-carboxylic acid
CID 135095144

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of 6-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (CID 24917459) is 6-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is COc1cccc(-c2ncc(CN3CCc4nc(N)ncc4C3)s2)c1.
What is the InChIKey of 6-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is ZOBLBVLDAXKAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-24-14-4-2-3-12(7-14)17-20-9-15(25-17)11-23-6-5-16-13(10-23)8-21-18(19)22-16/h2-4,7-9H,5-6,10-11H2,1H3,(H2,19,21,22).
What are the key properties of 6-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
6-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 353.45 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 24917459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).