1-(5-methyl-1,3-oxazol-2-yl)-N-(pyrimidin-4-ylmethyl)ethanamine

C11H14N4O — CID 106387875

IUPAC1-(5-methyl-1,3-oxazol-2-yl)-N-(pyrimidin-4-ylmethyl)ethanamine
SMILESCc1cnc(C(C)NCc2ccncn2)o1
InChIInChI=1S/C11H14N4O/c1-8-5-14-11(16-8)9(2)13-6-10-3-4-12-7-15-10/h3-5,7,9,13H,6H2,1-2H3
InChIKeyJPAGWKYASLUSHU-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.62
Rot. Bonds4

About 1-(5-methyl-1,3-oxazol-2-yl)-N-(pyrimidin-4-ylmethyl)ethanamine

1-(5-methyl-1,3-oxazol-2-yl)-N-(pyrimidin-4-ylmethyl)ethanamine (PubChem CID 106387875) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(5-methyl-1,3-oxazol-2-yl)-N-(pyrimidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(5-methyl-1,3-oxazol-2-yl)-N-(pyrimidin-4-ylmethyl)ethanamine
PubChem CID106387875
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name1-(5-methyl-1,3-oxazol-2-yl)-N-(pyrimidin-4-ylmethyl)ethanamine
SMILESCc1cnc(C(C)NCc2ccncn2)o1
InChIInChI=1S/C11H14N4O/c1-8-5-14-11(16-8)9(2)13-6-10-3-4-12-7-15-10/h3-5,7,9,13H,6H2,1-2H3
InChIKeyJPAGWKYASLUSHU-UHFFFAOYSA-N
XLogP1.62
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-pyridin-4-yl-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62760038
1-(5-methyl-1,3-oxazol-2-yl)-N-(quinoxalin-2-ylmethyl)ethanamine
CID 106388068
1-(5-methyl-1,3-oxazol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine
CID 113347391
1-(5-methyl-1,3-oxazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 104579884
1-(5-methyl-1,3-oxazol-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 113347384
N-[(3,5-dimethylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 113365423
1-(4-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62759306
N-[(3,4-dimethylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 104773428
1-(4-ethoxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62748905
3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol
CID 113365416
1-(5-methyl-1,3-oxazol-2-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 103893542
N-[(2-chlorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893421

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3-oxazol-2-yl)-N-(pyrimidin-4-ylmethyl)ethanamine?
The IUPAC name of 1-(5-methyl-1,3-oxazol-2-yl)-N-(pyrimidin-4-ylmethyl)ethanamine (CID 106387875) is 1-(5-methyl-1,3-oxazol-2-yl)-N-(pyrimidin-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-(5-methyl-1,3-oxazol-2-yl)-N-(pyrimidin-4-ylmethyl)ethanamine?
The canonical SMILES for 1-(5-methyl-1,3-oxazol-2-yl)-N-(pyrimidin-4-ylmethyl)ethanamine is Cc1cnc(C(C)NCc2ccncn2)o1.
What is the InChIKey of 1-(5-methyl-1,3-oxazol-2-yl)-N-(pyrimidin-4-ylmethyl)ethanamine?
The InChIKey is JPAGWKYASLUSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8-5-14-11(16-8)9(2)13-6-10-3-4-12-7-15-10/h3-5,7,9,13H,6H2,1-2H3.
What are the key properties of 1-(5-methyl-1,3-oxazol-2-yl)-N-(pyrimidin-4-ylmethyl)ethanamine?
1-(5-methyl-1,3-oxazol-2-yl)-N-(pyrimidin-4-ylmethyl)ethanamine has a molecular weight of 218.26 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3-oxazol-2-yl)-N-(pyrimidin-4-ylmethyl)ethanamine is sourced from PubChem (CID 106387875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).