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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Related Compounds

[5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630146
2-imidazo[1,2-a]pyrimidin-2-ylethanamine;hydrobromide
CID 71756465
2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)aniline
CID 693030
3-fluoro-4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)aniline
CID 43303479
2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-methylaniline
CID 43302389
2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 700171
2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 20787304
[4-cyclopropyl-5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 63314468
3-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine
CID 43213368
2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propan-1-amine
CID 66220095
2-(pyridin-1-ium-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 21239043
3-[(6-chloro-2-pyridinyl)methylsulfanyl]butan-1-amine
CID 79240653

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).