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

C15H20N4S — CID 24909121

IUPAC4-methyl-2-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
SMILESCc1csc(CN2CCc3nc(C(C)C)ncc3C2)n1
InChIInChI=1S/C15H20N4S/c1-10(2)15-16-6-12-7-19(5-4-13(12)18-15)8-14-17-11(3)9-20-14/h6,9-10H,4-5,7-8H2,1-3H3
InChIKeyXYDJRQPUMMSDFE-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.92
Rot. Bonds3

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

4-methyl-2-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole (PubChem CID 24909121) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-methyl-2-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
PubChem CID24909121
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name4-methyl-2-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
SMILESCc1csc(CN2CCc3nc(C(C)C)ncc3C2)n1
InChIInChI=1S/C15H20N4S/c1-10(2)15-16-6-12-7-19(5-4-13(12)18-15)8-14-17-11(3)9-20-14/h6,9-10H,4-5,7-8H2,1-3H3
InChIKeyXYDJRQPUMMSDFE-UHFFFAOYSA-N
XLogP2.92
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole (CID 24909121) is 4-methyl-2-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole is Cc1csc(CN2CCc3nc(C(C)C)ncc3C2)n1.
What is the InChIKey of 4-methyl-2-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole?
The InChIKey is XYDJRQPUMMSDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-10(2)15-16-6-12-7-19(5-4-13(12)18-15)8-14-17-11(3)9-20-14/h6,9-10H,4-5,7-8H2,1-3H3.
What are the key properties of 4-methyl-2-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole?
4-methyl-2-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole has a molecular weight of 288.42 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 24909121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).