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

C13H15N5OS — CID 71933040

IUPAC2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ncc2c(n1)CN(CC(=O)Nc1nccs1)CC2
InChIInChI=1S/C13H15N5OS/c1-9-15-6-10-2-4-18(7-11(10)16-9)8-12(19)17-13-14-3-5-20-13/h3,5-6H,2,4,7-8H2,1H3,(H,14,17,19)
InChIKeyPVYHDRCFNXOHBH-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.24
Rot. Bonds3

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

2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 71933040) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID71933040
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC Name2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ncc2c(n1)CN(CC(=O)Nc1nccs1)CC2
InChIInChI=1S/C13H15N5OS/c1-9-15-6-10-2-4-18(7-11(10)16-9)8-12(19)17-13-14-3-5-20-13/h3,5-6H,2,4,7-8H2,1H3,(H,14,17,19)
InChIKeyPVYHDRCFNXOHBH-UHFFFAOYSA-N
XLogP1.24
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 53571417
2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 53618970
2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 53625070
2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 56803048
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-7-(cyclopropylcarbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56865157
N-[5-[[4-[2-(4-methylpyrimidin-2-yl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377631
N-[5-[[4-[2-(6-methylpyrimidin-4-yl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377633
5-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-2-methyl-1,3-thiazole
CID 53572127
N-[5-[[(3R)-3-[(5-fluoro-4,6-dimethylpyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 160292467
5-[4-(Trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]-1,3-thiazole
CID 114741977
2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-5-(trifluoromethyl)-1,3-thiazole
CID 133508817
2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 2237105

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 71933040) is 2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(1,3-thiazol-2-yl)acetamide is Cc1ncc2c(n1)CN(CC(=O)Nc1nccs1)CC2.
What is the InChIKey of 2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is PVYHDRCFNXOHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c1-9-15-6-10-2-4-18(7-11(10)16-9)8-12(19)17-13-14-3-5-20-13/h3,5-6H,2,4,7-8H2,1H3,(H,14,17,19).
What are the key properties of 2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(1,3-thiazol-2-yl)acetamide?
2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 289.36 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 71933040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).