2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine

C15H17N5S — CID 915816

IUPAC2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
SMILESCc1cc(C)nc(SCc2cn3c(C)cc(C)nc3n2)n1
InChIInChI=1S/C15H17N5S/c1-9-5-10(2)18-15(17-9)21-8-13-7-20-12(4)6-11(3)16-14(20)19-13/h5-7H,8H2,1-4H3
InChIKeyRHFOKMDWZVCBKR-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.05
Rot. Bonds3

About 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine

2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine (PubChem CID 915816) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
PubChem CID915816
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC Name2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
SMILESCc1cc(C)nc(SCc2cn3c(C)cc(C)nc3n2)n1
InChIInChI=1S/C15H17N5S/c1-9-5-10(2)18-15(17-9)21-8-13-7-20-12(4)6-11(3)16-14(20)19-13/h5-7H,8H2,1-4H3
InChIKeyRHFOKMDWZVCBKR-UHFFFAOYSA-N
XLogP3.05
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
The IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine (CID 915816) is 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine is Cc1cc(C)nc(SCc2cn3c(C)cc(C)nc3n2)n1.
What is the InChIKey of 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
The InChIKey is RHFOKMDWZVCBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c1-9-5-10(2)18-15(17-9)21-8-13-7-20-12(4)6-11(3)16-14(20)19-13/h5-7H,8H2,1-4H3.
What are the key properties of 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine has a molecular weight of 299.40 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5,7-dimethylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 915816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).