2,4-bis[(1-methylimidazol-2-yl)sulfanyl]pyrimidine

C12H12N6S2 — CID 45035607

IUPAC2,4-bis[(1-methylimidazol-2-yl)sulfanyl]pyrimidine
SMILESCn1ccnc1Sc1ccnc(Sc2nccn2C)n1
InChIInChI=1S/C12H12N6S2/c1-17-7-5-14-11(17)19-9-3-4-13-10(16-9)20-12-15-6-8-18(12)2/h3-8H,1-2H3
InChIKeyZSXGKNZXXGABFJ-UHFFFAOYSA-N
MW304.40 g/mol
LogP2.25
Rot. Bonds4

About 2,4-bis[(1-methylimidazol-2-yl)sulfanyl]pyrimidine

2,4-bis[(1-methylimidazol-2-yl)sulfanyl]pyrimidine (PubChem CID 45035607) has the molecular formula C12H12N6S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 2,4-bis[(1-methylimidazol-2-yl)sulfanyl]pyrimidine.

Molecular Properties

Compound Name2,4-bis[(1-methylimidazol-2-yl)sulfanyl]pyrimidine
PubChem CID45035607
Molecular FormulaC12H12N6S2
Molecular Weight304.40 g/mol
Exact Mass304.06
IUPAC Name2,4-bis[(1-methylimidazol-2-yl)sulfanyl]pyrimidine
SMILESCn1ccnc1Sc1ccnc(Sc2nccn2C)n1
InChIInChI=1S/C12H12N6S2/c1-17-7-5-14-11(17)19-9-3-4-13-10(16-9)20-12-15-6-8-18(12)2/h3-8H,1-2H3
InChIKeyZSXGKNZXXGABFJ-UHFFFAOYSA-N
XLogP2.25
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis[(1-methylimidazol-2-yl)sulfanyl]pyrimidine?
The IUPAC name of 2,4-bis[(1-methylimidazol-2-yl)sulfanyl]pyrimidine (CID 45035607) is 2,4-bis[(1-methylimidazol-2-yl)sulfanyl]pyrimidine.
What is the SMILES notation for 2,4-bis[(1-methylimidazol-2-yl)sulfanyl]pyrimidine?
The canonical SMILES for 2,4-bis[(1-methylimidazol-2-yl)sulfanyl]pyrimidine is Cn1ccnc1Sc1ccnc(Sc2nccn2C)n1.
What is the InChIKey of 2,4-bis[(1-methylimidazol-2-yl)sulfanyl]pyrimidine?
The InChIKey is ZSXGKNZXXGABFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6S2/c1-17-7-5-14-11(17)19-9-3-4-13-10(16-9)20-12-15-6-8-18(12)2/h3-8H,1-2H3.
What are the key properties of 2,4-bis[(1-methylimidazol-2-yl)sulfanyl]pyrimidine?
2,4-bis[(1-methylimidazol-2-yl)sulfanyl]pyrimidine has a molecular weight of 304.40 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[(1-methylimidazol-2-yl)sulfanyl]pyrimidine is sourced from PubChem (CID 45035607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).