2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]propan-1-ol

C12H17N3OS — CID 112695433

IUPAC2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]propan-1-ol
SMILESCc1cc(C)n2cc(CSC(C)CO)nc2n1
InChIInChI=1S/C12H17N3OS/c1-8-4-9(2)15-5-11(14-12(15)13-8)7-17-10(3)6-16/h4-5,10,16H,6-7H2,1-3H3
InChIKeyKXWBCOYIPDDIJS-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.96
Rot. Bonds4

About 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]propan-1-ol

2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]propan-1-ol (PubChem CID 112695433) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]propan-1-ol
PubChem CID112695433
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]propan-1-ol
SMILESCc1cc(C)n2cc(CSC(C)CO)nc2n1
InChIInChI=1S/C12H17N3OS/c1-8-4-9(2)15-5-11(14-12(15)13-8)7-17-10(3)6-16/h4-5,10,16H,6-7H2,1-3H3
InChIKeyKXWBCOYIPDDIJS-UHFFFAOYSA-N
XLogP1.96
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl N'-aminocarbamimidothioate
CID 77060718
(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methanethiol
CID 87896349
(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl pyrrolidine-1-carbodithioate
CID 47109704
(2R)-1-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95757591
2-[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanylmethyl]cyclopropyl]acetic acid
CID 65441919
N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methyl-4-methylsulfanylbutan-2-amine
CID 75386771
(2R)-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methyl-4-methylsulfanylbutan-2-amine
CID 97238538
5,7-dimethyl-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 23910306
2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl-(2-methylpropyl)amino]acetic acid
CID 63064159
4-amino-2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135473743
2-chloro-4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]aniline
CID 79131278
1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]triazole-4-carboxylic acid
CID 62059594

Frequently Asked Questions

What is the IUPAC name of 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]propan-1-ol?
The IUPAC name of 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]propan-1-ol (CID 112695433) is 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]propan-1-ol.
What is the SMILES notation for 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]propan-1-ol?
The canonical SMILES for 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]propan-1-ol is Cc1cc(C)n2cc(CSC(C)CO)nc2n1.
What is the InChIKey of 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]propan-1-ol?
The InChIKey is KXWBCOYIPDDIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-8-4-9(2)15-5-11(14-12(15)13-8)7-17-10(3)6-16/h4-5,10,16H,6-7H2,1-3H3.
What are the key properties of 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]propan-1-ol?
2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]propan-1-ol has a molecular weight of 251.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]propan-1-ol is sourced from PubChem (CID 112695433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).