N-(4,6-dimethylpyrimidin-2-yl)-4-propan-2-yloxybenzamide

C16H19N3O2 — CID 661525

IUPACN-(4,6-dimethylpyrimidin-2-yl)-4-propan-2-yloxybenzamide
SMILESCc1cc(C)nc(NC(=O)c2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C16H19N3O2/c1-10(2)21-14-7-5-13(6-8-14)15(20)19-16-17-11(3)9-12(4)18-16/h5-10H,1-4H3,(H,17,18,19,20)
InChIKeyKYIWCEQFMMGMNN-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.13
Rot. Bonds4

About N-(4,6-dimethylpyrimidin-2-yl)-4-propan-2-yloxybenzamide

N-(4,6-dimethylpyrimidin-2-yl)-4-propan-2-yloxybenzamide (PubChem CID 661525) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-4-propan-2-yloxybenzamide
PubChem CID661525
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-4-propan-2-yloxybenzamide
SMILESCc1cc(C)nc(NC(=O)c2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C16H19N3O2/c1-10(2)21-14-7-5-13(6-8-14)15(20)19-16-17-11(3)9-12(4)18-16/h5-10H,1-4H3,(H,17,18,19,20)
InChIKeyKYIWCEQFMMGMNN-UHFFFAOYSA-N
XLogP3.13
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-4-propan-2-yloxybenzamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-4-propan-2-yloxybenzamide (CID 661525) is N-(4,6-dimethylpyrimidin-2-yl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-4-propan-2-yloxybenzamide is Cc1cc(C)nc(NC(=O)c2ccc(OC(C)C)cc2)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-4-propan-2-yloxybenzamide?
The InChIKey is KYIWCEQFMMGMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10(2)21-14-7-5-13(6-8-14)15(20)19-16-17-11(3)9-12(4)18-16/h5-10H,1-4H3,(H,17,18,19,20).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-4-propan-2-yloxybenzamide?
N-(4,6-dimethylpyrimidin-2-yl)-4-propan-2-yloxybenzamide has a molecular weight of 285.35 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 661525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).