(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl pyrrolidine-1-carbodithioate

C14H18N4S2 — CID 47109704

IUPAC(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl pyrrolidine-1-carbodithioate
SMILESCc1cc(C)n2cc(CSC(=S)N3CCCC3)nc2n1
InChIInChI=1S/C14H18N4S2/c1-10-7-11(2)18-8-12(16-13(18)15-10)9-20-14(19)17-5-3-4-6-17/h7-8H,3-6,9H2,1-2H3
InChIKeyUYIVMFNQBWFEGB-UHFFFAOYSA-N
MW306.46 g/mol
LogP2.96
Rot. Bonds2

About (5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl pyrrolidine-1-carbodithioate

(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl pyrrolidine-1-carbodithioate (PubChem CID 47109704) has the molecular formula C14H18N4S2 and a molecular weight of 306.46 g/mol. Its IUPAC name is (5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl pyrrolidine-1-carbodithioate.

Molecular Properties

Compound Name(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl pyrrolidine-1-carbodithioate
PubChem CID47109704
Molecular FormulaC14H18N4S2
Molecular Weight306.46 g/mol
Exact Mass306.10
IUPAC Name(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl pyrrolidine-1-carbodithioate
SMILESCc1cc(C)n2cc(CSC(=S)N3CCCC3)nc2n1
InChIInChI=1S/C14H18N4S2/c1-10-7-11(2)18-8-12(16-13(18)15-10)9-20-14(19)17-5-3-4-6-17/h7-8H,3-6,9H2,1-2H3
InChIKeyUYIVMFNQBWFEGB-UHFFFAOYSA-N
XLogP2.96
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl N'-aminocarbamimidothioate
CID 77060718
5,7-dimethyl-2-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 23910306
2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]propan-1-ol
CID 112695433
(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methanethiol
CID 87896349
2-[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanylmethyl]cyclopropyl]acetic acid
CID 65441919
(3R)-1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrrolidin-3-ol
CID 112734197
(2R)-1-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95757591
[1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 115312884
(2,6-dichloro-4-pyridinyl)methyl piperidine-1-carbodithioate
CID 2781992
(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl pyrrolidine-1-carbodithioate
CID 7614166
1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-N-methylpiperidin-3-amine
CID 62545800
4-amino-2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135473743

Frequently Asked Questions

What is the IUPAC name of (5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl pyrrolidine-1-carbodithioate?
The IUPAC name of (5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl pyrrolidine-1-carbodithioate (CID 47109704) is (5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl pyrrolidine-1-carbodithioate.
What is the SMILES notation for (5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl pyrrolidine-1-carbodithioate?
The canonical SMILES for (5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl pyrrolidine-1-carbodithioate is Cc1cc(C)n2cc(CSC(=S)N3CCCC3)nc2n1.
What is the InChIKey of (5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl pyrrolidine-1-carbodithioate?
The InChIKey is UYIVMFNQBWFEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S2/c1-10-7-11(2)18-8-12(16-13(18)15-10)9-20-14(19)17-5-3-4-6-17/h7-8H,3-6,9H2,1-2H3.
What are the key properties of (5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl pyrrolidine-1-carbodithioate?
(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl pyrrolidine-1-carbodithioate has a molecular weight of 306.46 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl pyrrolidine-1-carbodithioate is sourced from PubChem (CID 47109704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).