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

C15H20N4S — CID 24930897

IUPAC4-methyl-5-[(2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole
SMILESCCCc1ncc2c(n1)CN(Cc1scnc1C)CC2
InChIInChI=1S/C15H20N4S/c1-3-4-15-16-7-12-5-6-19(8-13(12)18-15)9-14-11(2)17-10-20-14/h7,10H,3-6,8-9H2,1-2H3
InChIKeyYCJYERPWNAQQOL-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.75
Rot. Bonds4

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

4-methyl-5-[(2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole (PubChem CID 24930897) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-methyl-5-[(2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[(2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole
PubChem CID24930897
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name4-methyl-5-[(2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole
SMILESCCCc1ncc2c(n1)CN(Cc1scnc1C)CC2
InChIInChI=1S/C15H20N4S/c1-3-4-15-16-7-12-5-6-19(8-13(12)18-15)9-14-11(2)17-10-20-14/h7,10H,3-6,8-9H2,1-2H3
InChIKeyYCJYERPWNAQQOL-UHFFFAOYSA-N
XLogP2.75
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-methyl-5-[(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole
CID 24930908
4-methyl-5-[(2-pyrimidin-5-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole
CID 24930900
7-(1-benzothiophen-2-ylmethyl)-2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931317
1'-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
CID 146069416
5-phenyl-3-[(2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,2-oxazole
CID 24931128
2-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
CID 24910029
6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913578
6-[(2,6-dimethylphenyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928995
6-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912024
2-methyl-7-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930382
6-[(2,3-dimethylimidazol-4-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915783
6-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912003

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[(2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole (CID 24930897) is 4-methyl-5-[(2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[(2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[(2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole is CCCc1ncc2c(n1)CN(Cc1scnc1C)CC2.
What is the InChIKey of 4-methyl-5-[(2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole?
The InChIKey is YCJYERPWNAQQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-3-4-15-16-7-12-5-6-19(8-13(12)18-15)9-14-11(2)17-10-20-14/h7,10H,3-6,8-9H2,1-2H3.
What are the key properties of 4-methyl-5-[(2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole?
4-methyl-5-[(2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole has a molecular weight of 288.42 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 24930897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).