6-(2-aminoethyl)-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine

C15H17N7O — CID 56714969

IUPAC6-(2-aminoethyl)-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCC(Nc1cc(CCN)ncn1)c1nc(-c2cccnc2)no1
InChIInChI=1S/C15H17N7O/c1-10(20-13-7-12(4-5-16)18-9-19-13)15-21-14(22-23-15)11-3-2-6-17-8-11/h2-3,6-10H,4-5,16H2,1H3,(H,18,19,20)
InChIKeyJTCMZLVPSNKGIW-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.60
Rot. Bonds6

About 6-(2-aminoethyl)-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine

6-(2-aminoethyl)-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine (PubChem CID 56714969) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is 6-(2-aminoethyl)-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-aminoethyl)-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
PubChem CID56714969
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name6-(2-aminoethyl)-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCC(Nc1cc(CCN)ncn1)c1nc(-c2cccnc2)no1
InChIInChI=1S/C15H17N7O/c1-10(20-13-7-12(4-5-16)18-9-19-13)15-21-14(22-23-15)11-3-2-6-17-8-11/h2-3,6-10H,4-5,16H2,1H3,(H,18,19,20)
InChIKeyJTCMZLVPSNKGIW-UHFFFAOYSA-N
XLogP1.60
TPSA115.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-(2-aminoethyl)-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-(2-aminoethyl)-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine (CID 56714969) is 6-(2-aminoethyl)-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(2-aminoethyl)-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-(2-aminoethyl)-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine is CC(Nc1cc(CCN)ncn1)c1nc(-c2cccnc2)no1.
What is the InChIKey of 6-(2-aminoethyl)-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
The InChIKey is JTCMZLVPSNKGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O/c1-10(20-13-7-12(4-5-16)18-9-19-13)15-21-14(22-23-15)11-3-2-6-17-8-11/h2-3,6-10H,4-5,16H2,1H3,(H,18,19,20).
What are the key properties of 6-(2-aminoethyl)-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
6-(2-aminoethyl)-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine has a molecular weight of 311.35 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 56714969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).