4-(pyrimidin-4-ylmethylsulfanylmethyl)pyrimidine

C10H10N4S — CID 91216006

IUPAC4-(pyrimidin-4-ylmethylsulfanylmethyl)pyrimidine
SMILESc1cc(CSCc2ccncn2)ncn1
InChIInChI=1S/C10H10N4S/c1-3-11-7-13-9(1)5-15-6-10-2-4-12-8-14-10/h1-4,7-8H,5-6H2
InChIKeyASFACSWNOWEDPF-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.70
Rot. Bonds4

About 4-(pyrimidin-4-ylmethylsulfanylmethyl)pyrimidine

4-(pyrimidin-4-ylmethylsulfanylmethyl)pyrimidine (PubChem CID 91216006) has the molecular formula C10H10N4S and a molecular weight of 218.29 g/mol. Its IUPAC name is 4-(pyrimidin-4-ylmethylsulfanylmethyl)pyrimidine.

Molecular Properties

Compound Name4-(pyrimidin-4-ylmethylsulfanylmethyl)pyrimidine
PubChem CID91216006
Molecular FormulaC10H10N4S
Molecular Weight218.29 g/mol
Exact Mass218.06
IUPAC Name4-(pyrimidin-4-ylmethylsulfanylmethyl)pyrimidine
SMILESc1cc(CSCc2ccncn2)ncn1
InChIInChI=1S/C10H10N4S/c1-3-11-7-13-9(1)5-15-6-10-2-4-12-8-14-10/h1-4,7-8H,5-6H2
InChIKeyASFACSWNOWEDPF-UHFFFAOYSA-N
XLogP1.70
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(pyrimidin-4-ylmethylsulfanylmethyl)pyrimidine?
The IUPAC name of 4-(pyrimidin-4-ylmethylsulfanylmethyl)pyrimidine (CID 91216006) is 4-(pyrimidin-4-ylmethylsulfanylmethyl)pyrimidine.
What is the SMILES notation for 4-(pyrimidin-4-ylmethylsulfanylmethyl)pyrimidine?
The canonical SMILES for 4-(pyrimidin-4-ylmethylsulfanylmethyl)pyrimidine is c1cc(CSCc2ccncn2)ncn1.
What is the InChIKey of 4-(pyrimidin-4-ylmethylsulfanylmethyl)pyrimidine?
The InChIKey is ASFACSWNOWEDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4S/c1-3-11-7-13-9(1)5-15-6-10-2-4-12-8-14-10/h1-4,7-8H,5-6H2.
What are the key properties of 4-(pyrimidin-4-ylmethylsulfanylmethyl)pyrimidine?
4-(pyrimidin-4-ylmethylsulfanylmethyl)pyrimidine has a molecular weight of 218.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrimidin-4-ylmethylsulfanylmethyl)pyrimidine is sourced from PubChem (CID 91216006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).