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

C17H18N6S — CID 24913204

IUPAC2,4-dimethyl-5-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
SMILESCc1nc(C)c(CN2CCc3nc(-c4cncnc4)ncc3C2)s1
InChIInChI=1S/C17H18N6S/c1-11-16(24-12(2)21-11)9-23-4-3-15-14(8-23)7-20-17(22-15)13-5-18-10-19-6-13/h5-7,10H,3-4,8-9H2,1-2H3
InChIKeyBXHFSARSTDDCQL-UHFFFAOYSA-N
MW338.44 g/mol
LogP2.57
Rot. Bonds3

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

2,4-dimethyl-5-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole (PubChem CID 24913204) has the molecular formula C17H18N6S and a molecular weight of 338.44 g/mol. Its IUPAC name is 2,4-dimethyl-5-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-5-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
PubChem CID24913204
Molecular FormulaC17H18N6S
Molecular Weight338.44 g/mol
Exact Mass338.13
IUPAC Name2,4-dimethyl-5-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
SMILESCc1nc(C)c(CN2CCc3nc(-c4cncnc4)ncc3C2)s1
InChIInChI=1S/C17H18N6S/c1-11-16(24-12(2)21-11)9-23-4-3-15-14(8-23)7-20-17(22-15)13-5-18-10-19-6-13/h5-7,10H,3-4,8-9H2,1-2H3
InChIKeyBXHFSARSTDDCQL-UHFFFAOYSA-N
XLogP2.57
TPSA67.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-2,4-dimethyl-1,3-thiazole
CID 24913203
2-pyrimidin-5-yl-6-[(1,4,5-trimethylimidazol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917550
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-[(4-methyl-3-pyridinyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917088
6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910180
1-[5-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thiophen-2-yl]ethanone
CID 24910978
6-[(1-methylpyrazol-3-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913372
2-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thieno[2,3-b]pyridine
CID 24917130
6-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911062
2-pyrimidin-5-yl-6-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915304
6-[(5-methoxy-3-pyridinyl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917067
6-[(5-chlorofuran-2-yl)methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912826

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-5-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole (CID 24913204) is 2,4-dimethyl-5-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-5-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-5-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole is Cc1nc(C)c(CN2CCc3nc(-c4cncnc4)ncc3C2)s1.
What is the InChIKey of 2,4-dimethyl-5-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole?
The InChIKey is BXHFSARSTDDCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6S/c1-11-16(24-12(2)21-11)9-23-4-3-15-14(8-23)7-20-17(22-15)13-5-18-10-19-6-13/h5-7,10H,3-4,8-9H2,1-2H3.
What are the key properties of 2,4-dimethyl-5-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole?
2,4-dimethyl-5-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole has a molecular weight of 338.44 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[(2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 24913204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).