6-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine

C9H11N5O — CID 106403520

IUPAC6-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine
SMILESCCc1cc(NCc2ncon2)ncn1
InChIInChI=1S/C9H11N5O/c1-2-7-3-8(12-5-11-7)10-4-9-13-6-15-14-9/h3,5-6H,2,4H2,1H3,(H,10,11,12)
InChIKeyJGIUNXZZLCTIQT-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.03
Rot. Bonds4

About 6-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine

6-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine (PubChem CID 106403520) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 6-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine
PubChem CID106403520
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name6-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine
SMILESCCc1cc(NCc2ncon2)ncn1
InChIInChI=1S/C9H11N5O/c1-2-7-3-8(12-5-11-7)10-4-9-13-6-15-14-9/h3,5-6H,2,4H2,1H3,(H,10,11,12)
InChIKeyJGIUNXZZLCTIQT-UHFFFAOYSA-N
XLogP1.03
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-4,6-diamine
CID 106411776
6-bromo-2-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine
CID 106405420
6-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 106898452
2,6-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine
CID 106403332
6-N-methyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106412168
N-(1,3-benzodioxol-5-ylmethyl)-6-ethylpyrimidin-4-amine
CID 55131031
6-ethoxy-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine
CID 106403626
4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-N-propylpyridine-2,4-diamine
CID 114185489
6-ethyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine
CID 55140338
6-ethyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine
CID 63965722
6-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 55057435
5,5-diethyl-N-(1,2,4-oxadiazol-3-ylmethyl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106406406

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine (CID 106403520) is 6-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine is CCc1cc(NCc2ncon2)ncn1.
What is the InChIKey of 6-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is JGIUNXZZLCTIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-2-7-3-8(12-5-11-7)10-4-9-13-6-15-14-9/h3,5-6H,2,4H2,1H3,(H,10,11,12).
What are the key properties of 6-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine?
6-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 205.22 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 106403520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).