5,7-dimethyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine

C14H15N5S — CID 3509877

IUPAC5,7-dimethyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
SMILESCc1ccnc(SCc2cn3c(C)cc(C)nc3n2)n1
InChIInChI=1S/C14H15N5S/c1-9-4-5-15-14(17-9)20-8-12-7-19-11(3)6-10(2)16-13(19)18-12/h4-7H,8H2,1-3H3
InChIKeyBEMHYXCZFNHTPD-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.74
Rot. Bonds3

About 5,7-dimethyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine

5,7-dimethyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine (PubChem CID 3509877) has the molecular formula C14H15N5S and a molecular weight of 285.38 g/mol. Its IUPAC name is 5,7-dimethyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
PubChem CID3509877
Molecular FormulaC14H15N5S
Molecular Weight285.38 g/mol
Exact Mass285.10
IUPAC Name5,7-dimethyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
SMILESCc1ccnc(SCc2cn3c(C)cc(C)nc3n2)n1
InChIInChI=1S/C14H15N5S/c1-9-4-5-15-14(17-9)20-8-12-7-19-11(3)6-10(2)16-13(19)18-12/h4-7H,8H2,1-3H3
InChIKeyBEMHYXCZFNHTPD-UHFFFAOYSA-N
XLogP2.74
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine (CID 3509877) is 5,7-dimethyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine is Cc1ccnc(SCc2cn3c(C)cc(C)nc3n2)n1.
What is the InChIKey of 5,7-dimethyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The InChIKey is BEMHYXCZFNHTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S/c1-9-4-5-15-14(17-9)20-8-12-7-19-11(3)6-10(2)16-13(19)18-12/h4-7H,8H2,1-3H3.
What are the key properties of 5,7-dimethyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
5,7-dimethyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine has a molecular weight of 285.38 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 3509877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).