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

C15H20N4S — CID 24930908

IUPAC4-methyl-5-[(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole
SMILESCc1ncsc1CN1CCc2cnc(C(C)C)nc2C1
InChIInChI=1S/C15H20N4S/c1-10(2)15-16-6-12-4-5-19(7-13(12)18-15)8-14-11(3)17-9-20-14/h6,9-10H,4-5,7-8H2,1-3H3
InChIKeyBKSFOLRBRAYWJO-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.92
Rot. Bonds3

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

4-methyl-5-[(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole (PubChem CID 24930908) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-methyl-5-[(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole
PubChem CID24930908
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name4-methyl-5-[(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole
SMILESCc1ncsc1CN1CCc2cnc(C(C)C)nc2C1
InChIInChI=1S/C15H20N4S/c1-10(2)15-16-6-12-4-5-19(7-13(12)18-15)8-14-11(3)17-9-20-14/h6,9-10H,4-5,7-8H2,1-3H3
InChIKeyBKSFOLRBRAYWJO-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

Analyze 4-methyl-5-[(2-propan-2-yl-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-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole
CID 24930897
4-methyl-5-[(2-pyrimidin-5-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole
CID 24930900
6-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913570
2-propan-2-yl-7-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931286
2-methoxy-5-[(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]phenol
CID 24930173
2-(3-methylfuran-2-yl)-5-[(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3,4-oxadiazole
CID 71932557
6-[(2,6-dimethylphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928987
7-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 56781693
7-[(5-bromo-1H-indol-3-yl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931013
6-[(2-methyl-1H-imidazol-5-yl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910273
7-[(1-benzylindol-3-yl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930593
5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-4-methyl-1,3-thiazole
CID 24916500

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole (CID 24930908) is 4-methyl-5-[(2-propan-2-yl-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-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole is Cc1ncsc1CN1CCc2cnc(C(C)C)nc2C1.
What is the InChIKey of 4-methyl-5-[(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole?
The InChIKey is BKSFOLRBRAYWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-10(2)15-16-6-12-4-5-19(7-13(12)18-15)8-14-11(3)17-9-20-14/h6,9-10H,4-5,7-8H2,1-3H3.
What are the key properties of 4-methyl-5-[(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole?
4-methyl-5-[(2-propan-2-yl-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 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 24930908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).