4-methyl-2-[[2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]pyrimidine

C18H18N4S2 — CID 1046861

IUPAC4-methyl-2-[[2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]pyrimidine
SMILESCc1ccnc(SCc2ccccc2CSc2nccc(C)n2)n1
InChIInChI=1S/C18H18N4S2/c1-13-7-9-19-17(21-13)23-11-15-5-3-4-6-16(15)12-24-18-20-10-8-14(2)22-18/h3-10H,11-12H2,1-2H3
InChIKeyFDIZXPCNGGSYLU-UHFFFAOYSA-N
MW354.50 g/mol
LogP4.47
Rot. Bonds6

About 4-methyl-2-[[2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]pyrimidine

4-methyl-2-[[2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]pyrimidine (PubChem CID 1046861) has the molecular formula C18H18N4S2 and a molecular weight of 354.50 g/mol. Its IUPAC name is 4-methyl-2-[[2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[[2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]pyrimidine
PubChem CID1046861
Molecular FormulaC18H18N4S2
Molecular Weight354.50 g/mol
Exact Mass354.10
IUPAC Name4-methyl-2-[[2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]pyrimidine
SMILESCc1ccnc(SCc2ccccc2CSc2nccc(C)n2)n1
InChIInChI=1S/C18H18N4S2/c1-13-7-9-19-17(21-13)23-11-15-5-3-4-6-16(15)12-24-18-20-10-8-14(2)22-18/h3-10H,11-12H2,1-2H3
InChIKeyFDIZXPCNGGSYLU-UHFFFAOYSA-N
XLogP4.47
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]aniline
CID 62268189
2-[(2-fluorophenyl)methylsulfanyl]-4-methylpyrimidine
CID 5048437
2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzonitrile
CID 60722997
[3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine
CID 55128212
2-[(2,3-dichloro-4-pyridinyl)methylsulfanyl]-4-methylpyrimidine
CID 123240573
2-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]aniline
CID 62497444
2-[(2-fluoro-3-nitrophenyl)methylsulfanyl]-4-methylpyrimidine
CID 107349702
3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carboximidamide
CID 55128218
4-methyl-2-[5-(4-methylpyrimidin-2-yl)sulfanylpentylsulfanyl]pyrimidine
CID 166190130
2-fluoro-3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]benzenecarboximidamide
CID 107118487
2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 17307793
[3-fluoro-4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine
CID 62268739

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]pyrimidine?
The IUPAC name of 4-methyl-2-[[2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]pyrimidine (CID 1046861) is 4-methyl-2-[[2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]pyrimidine.
What is the SMILES notation for 4-methyl-2-[[2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]pyrimidine?
The canonical SMILES for 4-methyl-2-[[2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]pyrimidine is Cc1ccnc(SCc2ccccc2CSc2nccc(C)n2)n1.
What is the InChIKey of 4-methyl-2-[[2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]pyrimidine?
The InChIKey is FDIZXPCNGGSYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4S2/c1-13-7-9-19-17(21-13)23-11-15-5-3-4-6-16(15)12-24-18-20-10-8-14(2)22-18/h3-10H,11-12H2,1-2H3.
What are the key properties of 4-methyl-2-[[2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]pyrimidine?
4-methyl-2-[[2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]pyrimidine has a molecular weight of 354.50 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]pyrimidine is sourced from PubChem (CID 1046861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).