N-[(2-pyrimidin-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]propan-1-amine

C15H17N5S — CID 63805663

IUPACN-[(2-pyrimidin-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]propan-1-amine
SMILESCCCNCc1c(Sc2ncccn2)nc2ccccn12
InChIInChI=1S/C15H17N5S/c1-2-7-16-11-12-14(21-15-17-8-5-9-18-15)19-13-6-3-4-10-20(12)13/h3-6,8-10,16H,2,7,11H2,1H3
InChIKeyOFTUMFUVJMSTRH-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.78
Rot. Bonds6

About N-[(2-pyrimidin-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]propan-1-amine

N-[(2-pyrimidin-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]propan-1-amine (PubChem CID 63805663) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[(2-pyrimidin-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-pyrimidin-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]propan-1-amine
PubChem CID63805663
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC NameN-[(2-pyrimidin-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]propan-1-amine
SMILESCCCNCc1c(Sc2ncccn2)nc2ccccn12
InChIInChI=1S/C15H17N5S/c1-2-7-16-11-12-14(21-15-17-8-5-9-18-15)19-13-6-3-4-10-20(12)13/h3-6,8-10,16H,2,7,11H2,1H3
InChIKeyOFTUMFUVJMSTRH-UHFFFAOYSA-N
XLogP2.78
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrimidin-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-pyrimidin-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]propan-1-amine (CID 63805663) is N-[(2-pyrimidin-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-pyrimidin-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-pyrimidin-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]propan-1-amine is CCCNCc1c(Sc2ncccn2)nc2ccccn12.
What is the InChIKey of N-[(2-pyrimidin-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]propan-1-amine?
The InChIKey is OFTUMFUVJMSTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c1-2-7-16-11-12-14(21-15-17-8-5-9-18-15)19-13-6-3-4-10-20(12)13/h3-6,8-10,16H,2,7,11H2,1H3.
What are the key properties of N-[(2-pyrimidin-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]propan-1-amine?
N-[(2-pyrimidin-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]propan-1-amine has a molecular weight of 299.40 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyrimidin-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 63805663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).