3-(6-aminopyrimidin-4-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]benzamide

C19H21N5O2 — CID 118789374

IUPAC3-(6-aminopyrimidin-4-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]benzamide
SMILESCC(C)Cc1cc(CNC(=O)c2cccc(-c3cc(N)ncn3)c2)on1
InChIInChI=1S/C19H21N5O2/c1-12(2)6-15-8-16(26-24-15)10-21-19(25)14-5-3-4-13(7-14)17-9-18(20)23-11-22-17/h3-5,7-9,11-12H,6,10H2,1-2H3,(H,21,25)(H2,20,22,23)
InChIKeyOTMJIYBRZPDCGX-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.84
Rot. Bonds6

About 3-(6-aminopyrimidin-4-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]benzamide

3-(6-aminopyrimidin-4-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]benzamide (PubChem CID 118789374) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-(6-aminopyrimidin-4-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name3-(6-aminopyrimidin-4-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]benzamide
PubChem CID118789374
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name3-(6-aminopyrimidin-4-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]benzamide
SMILESCC(C)Cc1cc(CNC(=O)c2cccc(-c3cc(N)ncn3)c2)on1
InChIInChI=1S/C19H21N5O2/c1-12(2)6-15-8-16(26-24-15)10-21-19(25)14-5-3-4-13(7-14)17-9-18(20)23-11-22-17/h3-5,7-9,11-12H,6,10H2,1-2H3,(H,21,25)(H2,20,22,23)
InChIKeyOTMJIYBRZPDCGX-UHFFFAOYSA-N
XLogP2.84
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(6-aminopyrimidin-4-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]benzamide?
The IUPAC name of 3-(6-aminopyrimidin-4-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]benzamide (CID 118789374) is 3-(6-aminopyrimidin-4-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]benzamide.
What is the SMILES notation for 3-(6-aminopyrimidin-4-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]benzamide?
The canonical SMILES for 3-(6-aminopyrimidin-4-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]benzamide is CC(C)Cc1cc(CNC(=O)c2cccc(-c3cc(N)ncn3)c2)on1.
What is the InChIKey of 3-(6-aminopyrimidin-4-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]benzamide?
The InChIKey is OTMJIYBRZPDCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-12(2)6-15-8-16(26-24-15)10-21-19(25)14-5-3-4-13(7-14)17-9-18(20)23-11-22-17/h3-5,7-9,11-12H,6,10H2,1-2H3,(H,21,25)(H2,20,22,23).
What are the key properties of 3-(6-aminopyrimidin-4-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]benzamide?
3-(6-aminopyrimidin-4-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]benzamide has a molecular weight of 351.41 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-aminopyrimidin-4-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]benzamide is sourced from PubChem (CID 118789374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).