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

C10H13N5O — CID 103702863

IUPAC2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCc1nccc(NCCc2nc(C)no2)n1
InChIInChI=1S/C10H13N5O/c1-7-11-5-3-9(13-7)12-6-4-10-14-8(2)15-16-10/h3,5H,4,6H2,1-2H3,(H,11,12,13)
InChIKeyLWGAONPBGPQETM-UHFFFAOYSA-N
MW219.25 g/mol
LogP1.13
Rot. Bonds4

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

2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine (PubChem CID 103702863) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
PubChem CID103702863
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCc1nccc(NCCc2nc(C)no2)n1
InChIInChI=1S/C10H13N5O/c1-7-11-5-3-9(13-7)12-6-4-10-14-8(2)15-16-10/h3,5H,4,6H2,1-2H3,(H,11,12,13)
InChIKeyLWGAONPBGPQETM-UHFFFAOYSA-N
XLogP1.13
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine (CID 103702863) is 2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine is Cc1nccc(NCCc2nc(C)no2)n1.
What is the InChIKey of 2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
The InChIKey is LWGAONPBGPQETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-7-11-5-3-9(13-7)12-6-4-10-14-8(2)15-16-10/h3,5H,4,6H2,1-2H3,(H,11,12,13).
What are the key properties of 2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine has a molecular weight of 219.25 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 103702863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).