N-ethyl-N-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]ethyl]-2-(triazol-2-yl)benzamide

C20H24N6O2 — CID 121414001

IUPACN-ethyl-N-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]ethyl]-2-(triazol-2-yl)benzamide
SMILESCCN(CCc1ccnc(C(C)(C)O)n1)C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C20H24N6O2/c1-4-25(14-10-15-9-11-21-19(24-15)20(2,3)28)18(27)16-7-5-6-8-17(16)26-22-12-13-23-26/h5-9,11-13,28H,4,10,14H2,1-3H3
InChIKeyMSHKAPSZRGSJEZ-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.99
Rot. Bonds7

About N-ethyl-N-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]ethyl]-2-(triazol-2-yl)benzamide

N-ethyl-N-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]ethyl]-2-(triazol-2-yl)benzamide (PubChem CID 121414001) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-ethyl-N-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]ethyl]-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]ethyl]-2-(triazol-2-yl)benzamide
PubChem CID121414001
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC NameN-ethyl-N-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]ethyl]-2-(triazol-2-yl)benzamide
SMILESCCN(CCc1ccnc(C(C)(C)O)n1)C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C20H24N6O2/c1-4-25(14-10-15-9-11-21-19(24-15)20(2,3)28)18(27)16-7-5-6-8-17(16)26-22-12-13-23-26/h5-9,11-13,28H,4,10,14H2,1-3H3
InChIKeyMSHKAPSZRGSJEZ-UHFFFAOYSA-N
XLogP1.99
TPSA97.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]ethyl]-2-(triazol-2-yl)benzamide?
The IUPAC name of N-ethyl-N-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]ethyl]-2-(triazol-2-yl)benzamide (CID 121414001) is N-ethyl-N-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]ethyl]-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-ethyl-N-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]ethyl]-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-ethyl-N-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]ethyl]-2-(triazol-2-yl)benzamide is CCN(CCc1ccnc(C(C)(C)O)n1)C(=O)c1ccccc1-n1nccn1.
What is the InChIKey of N-ethyl-N-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]ethyl]-2-(triazol-2-yl)benzamide?
The InChIKey is MSHKAPSZRGSJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-4-25(14-10-15-9-11-21-19(24-15)20(2,3)28)18(27)16-7-5-6-8-17(16)26-22-12-13-23-26/h5-9,11-13,28H,4,10,14H2,1-3H3.
What are the key properties of N-ethyl-N-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]ethyl]-2-(triazol-2-yl)benzamide?
N-ethyl-N-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]ethyl]-2-(triazol-2-yl)benzamide has a molecular weight of 380.45 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]ethyl]-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 121414001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).