2-methyl-4-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine

C18H21N7S — CID 154853620

IUPAC2-methyl-4-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
SMILESCSc1nc(C)cc(N2CCN(c3nc(C)nc4cnccc34)CC2)n1
InChIInChI=1S/C18H21N7S/c1-12-10-16(23-18(20-12)26-3)24-6-8-25(9-7-24)17-14-4-5-19-11-15(14)21-13(2)22-17/h4-5,10-11H,6-9H2,1-3H3
InChIKeyWOMFOVXTOXFVSQ-UHFFFAOYSA-N
MW367.48 g/mol
LogP2.48
Rot. Bonds3

About 2-methyl-4-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine

2-methyl-4-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine (PubChem CID 154853620) has the molecular formula C18H21N7S and a molecular weight of 367.48 g/mol. Its IUPAC name is 2-methyl-4-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
PubChem CID154853620
Molecular FormulaC18H21N7S
Molecular Weight367.48 g/mol
Exact Mass367.16
IUPAC Name2-methyl-4-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
SMILESCSc1nc(C)cc(N2CCN(c3nc(C)nc4cnccc34)CC2)n1
InChIInChI=1S/C18H21N7S/c1-12-10-16(23-18(20-12)26-3)24-6-8-25(9-7-24)17-14-4-5-19-11-15(14)21-13(2)22-17/h4-5,10-11H,6-9H2,1-3H3
InChIKeyWOMFOVXTOXFVSQ-UHFFFAOYSA-N
XLogP2.48
TPSA70.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-methyl-4-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine with MolForge

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Related Compounds

4-[4-[6-(difluoromethyl)-2-methylsulfanylpyrimidin-4-yl]piperazin-1-yl]-2-methylpyrido[3,4-d]pyrimidine
CID 155798953
2-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 154853618
2-methyl-4-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
CID 155976620
N-ethyl-4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine
CID 155976450
4-[4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 155981287
2-methyl-4-[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrido[3,4-d]pyrimidine
CID 126931938
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methylpyrido[3,4-d]pyrimidine
CID 165433565
2-methyl-4-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
CID 126895263
4-[4-(6-ethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 154829125
6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126916583
2-methyl-4-(3-pyridin-2-ylpyrrolidin-1-yl)pyrido[3,4-d]pyrimidine
CID 163356963
4-methyl-2-methylsulfanyl-6-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine
CID 171337761

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine?
The IUPAC name of 2-methyl-4-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine (CID 154853620) is 2-methyl-4-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-methyl-4-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine is CSc1nc(C)cc(N2CCN(c3nc(C)nc4cnccc34)CC2)n1.
What is the InChIKey of 2-methyl-4-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine?
The InChIKey is WOMFOVXTOXFVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7S/c1-12-10-16(23-18(20-12)26-3)24-6-8-25(9-7-24)17-14-4-5-19-11-15(14)21-13(2)22-17/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of 2-methyl-4-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine?
2-methyl-4-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine has a molecular weight of 367.48 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 154853620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).