5-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]-N-propylpyrimidin-2-amine

C13H19N5O — CID 77096379

IUPAC5-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(CN(C)Cc2ccon2)cn1
InChIInChI=1S/C13H19N5O/c1-3-5-14-13-15-7-11(8-16-13)9-18(2)10-12-4-6-19-17-12/h4,6-8H,3,5,9-10H2,1-2H3,(H,14,15,16)
InChIKeyYMTKPMOMDYDYDV-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.92
Rot. Bonds7

About 5-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]-N-propylpyrimidin-2-amine

5-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]-N-propylpyrimidin-2-amine (PubChem CID 77096379) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 5-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]-N-propylpyrimidin-2-amine
PubChem CID77096379
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name5-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(CN(C)Cc2ccon2)cn1
InChIInChI=1S/C13H19N5O/c1-3-5-14-13-15-7-11(8-16-13)9-18(2)10-12-4-6-19-17-12/h4,6-8H,3,5,9-10H2,1-2H3,(H,14,15,16)
InChIKeyYMTKPMOMDYDYDV-UHFFFAOYSA-N
XLogP1.92
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]-N-propylpyrimidin-2-amine?
The IUPAC name of 5-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]-N-propylpyrimidin-2-amine (CID 77096379) is 5-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]-N-propylpyrimidin-2-amine is CCCNc1ncc(CN(C)Cc2ccon2)cn1.
What is the InChIKey of 5-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]-N-propylpyrimidin-2-amine?
The InChIKey is YMTKPMOMDYDYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-3-5-14-13-15-7-11(8-16-13)9-18(2)10-12-4-6-19-17-12/h4,6-8H,3,5,9-10H2,1-2H3,(H,14,15,16).
What are the key properties of 5-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]-N-propylpyrimidin-2-amine?
5-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]-N-propylpyrimidin-2-amine has a molecular weight of 261.33 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]-N-propylpyrimidin-2-amine is sourced from PubChem (CID 77096379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).