2-(cyclopentylsulfanylmethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine

C14H19N3S — CID 3700898

IUPAC2-(cyclopentylsulfanylmethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2cc(CSC3CCCC3)nc2n1
InChIInChI=1S/C14H19N3S/c1-10-7-11(2)17-8-12(16-14(17)15-10)9-18-13-5-3-4-6-13/h7-8,13H,3-6,9H2,1-2H3
InChIKeyPUWCXTQTCNOHAB-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.52
Rot. Bonds3

About 2-(cyclopentylsulfanylmethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine

2-(cyclopentylsulfanylmethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine (PubChem CID 3700898) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-(cyclopentylsulfanylmethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(cyclopentylsulfanylmethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine
PubChem CID3700898
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name2-(cyclopentylsulfanylmethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2cc(CSC3CCCC3)nc2n1
InChIInChI=1S/C14H19N3S/c1-10-7-11(2)17-8-12(16-14(17)15-10)9-18-13-5-3-4-6-13/h7-8,13H,3-6,9H2,1-2H3
InChIKeyPUWCXTQTCNOHAB-UHFFFAOYSA-N
XLogP3.52
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,6-Dimethyl-pyrimidin-2-ylsulfanylmethyl)-5,7-dimethyl-imidazo[1,2-a]pyrimidine
CID 915816
5,7-Dimethyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 3509877
2-[(5,7-Dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole
CID 2998062
5,7-Dimethyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 2999197
5-[(5,7-Dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 3000019
3-Bromo-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 3731510
5,7-Dimethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 4304138
3-[(5,7-Dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine
CID 2999561
2-[(5,7-Dimethyl-2-imidazo[1,2-a]pyrimidinyl)methylthio]acetic acid
CID 3645743
2-(Chloromethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine
CID 693330
N,4,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-2-amine
CID 46958595
1,3a,7-Triazaindene, 2,4,6-trimethyl-
CID 21822693

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylsulfanylmethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine?
The IUPAC name of 2-(cyclopentylsulfanylmethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine (CID 3700898) is 2-(cyclopentylsulfanylmethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-(cyclopentylsulfanylmethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-(cyclopentylsulfanylmethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine is Cc1cc(C)n2cc(CSC3CCCC3)nc2n1.
What is the InChIKey of 2-(cyclopentylsulfanylmethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine?
The InChIKey is PUWCXTQTCNOHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-10-7-11(2)17-8-12(16-14(17)15-10)9-18-13-5-3-4-6-13/h7-8,13H,3-6,9H2,1-2H3.
What are the key properties of 2-(cyclopentylsulfanylmethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine?
2-(cyclopentylsulfanylmethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine has a molecular weight of 261.39 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylsulfanylmethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 3700898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).