3-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)butan-1-amine

C11H16N4S — CID 66228154

IUPAC3-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)butan-1-amine
SMILESCC(CCN)SCc1cn2cccnc2n1
InChIInChI=1S/C11H16N4S/c1-9(3-4-12)16-8-10-7-15-6-2-5-13-11(15)14-10/h2,5-7,9H,3-4,8,12H2,1H3
InChIKeyVKBPQQJNKNDTJY-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.70
Rot. Bonds5

About 3-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)butan-1-amine

3-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)butan-1-amine (PubChem CID 66228154) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)butan-1-amine.

Molecular Properties

Compound Name3-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)butan-1-amine
PubChem CID66228154
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name3-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)butan-1-amine
SMILESCC(CCN)SCc1cn2cccnc2n1
InChIInChI=1S/C11H16N4S/c1-9(3-4-12)16-8-10-7-15-6-2-5-13-11(15)14-10/h2,5-7,9H,3-4,8,12H2,1H3
InChIKeyVKBPQQJNKNDTJY-UHFFFAOYSA-N
XLogP1.70
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)butan-1-amine?
The IUPAC name of 3-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)butan-1-amine (CID 66228154) is 3-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)butan-1-amine.
What is the SMILES notation for 3-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)butan-1-amine?
The canonical SMILES for 3-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)butan-1-amine is CC(CCN)SCc1cn2cccnc2n1.
What is the InChIKey of 3-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)butan-1-amine?
The InChIKey is VKBPQQJNKNDTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-9(3-4-12)16-8-10-7-15-6-2-5-13-11(15)14-10/h2,5-7,9H,3-4,8,12H2,1H3.
What are the key properties of 3-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)butan-1-amine?
3-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)butan-1-amine has a molecular weight of 236.34 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)butan-1-amine is sourced from PubChem (CID 66228154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).