N-[2-(2,6-dimethoxyphenyl)-4-methoxy-6-methylpyrimidin-5-yl]-2,2-dimethyl-N-propylpropanamide

C22H31N3O4 — CID 70124077

IUPACN-[2-(2,6-dimethoxyphenyl)-4-methoxy-6-methylpyrimidin-5-yl]-2,2-dimethyl-N-propylpropanamide
SMILESCCCN(C(=O)C(C)(C)C)c1c(C)nc(-c2c(OC)cccc2OC)nc1OC
InChIInChI=1S/C22H31N3O4/c1-9-13-25(21(26)22(3,4)5)18-14(2)23-19(24-20(18)29-8)17-15(27-6)11-10-12-16(17)28-7/h10-12H,9,13H2,1-8H3
InChIKeySXKKDIXNFHJVID-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.27
Rot. Bonds7

About N-[2-(2,6-dimethoxyphenyl)-4-methoxy-6-methylpyrimidin-5-yl]-2,2-dimethyl-N-propylpropanamide

N-[2-(2,6-dimethoxyphenyl)-4-methoxy-6-methylpyrimidin-5-yl]-2,2-dimethyl-N-propylpropanamide (PubChem CID 70124077) has the molecular formula C22H31N3O4 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[2-(2,6-dimethoxyphenyl)-4-methoxy-6-methylpyrimidin-5-yl]-2,2-dimethyl-N-propylpropanamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethoxyphenyl)-4-methoxy-6-methylpyrimidin-5-yl]-2,2-dimethyl-N-propylpropanamide
PubChem CID70124077
Molecular FormulaC22H31N3O4
Molecular Weight401.51 g/mol
Exact Mass401.23
IUPAC NameN-[2-(2,6-dimethoxyphenyl)-4-methoxy-6-methylpyrimidin-5-yl]-2,2-dimethyl-N-propylpropanamide
SMILESCCCN(C(=O)C(C)(C)C)c1c(C)nc(-c2c(OC)cccc2OC)nc1OC
InChIInChI=1S/C22H31N3O4/c1-9-13-25(21(26)22(3,4)5)18-14(2)23-19(24-20(18)29-8)17-15(27-6)11-10-12-16(17)28-7/h10-12H,9,13H2,1-8H3
InChIKeySXKKDIXNFHJVID-UHFFFAOYSA-N
XLogP4.27
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[2-(2,6-dimethoxyphenyl)-4-methoxy-6-methylpyrimidin-5-yl]-2,2-dimethyl-N-propylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethoxyphenyl)-4-methoxy-6-methylpyrimidin-5-yl]-2,2-dimethyl-N-propylpropanamide?
The IUPAC name of N-[2-(2,6-dimethoxyphenyl)-4-methoxy-6-methylpyrimidin-5-yl]-2,2-dimethyl-N-propylpropanamide (CID 70124077) is N-[2-(2,6-dimethoxyphenyl)-4-methoxy-6-methylpyrimidin-5-yl]-2,2-dimethyl-N-propylpropanamide.
What is the SMILES notation for N-[2-(2,6-dimethoxyphenyl)-4-methoxy-6-methylpyrimidin-5-yl]-2,2-dimethyl-N-propylpropanamide?
The canonical SMILES for N-[2-(2,6-dimethoxyphenyl)-4-methoxy-6-methylpyrimidin-5-yl]-2,2-dimethyl-N-propylpropanamide is CCCN(C(=O)C(C)(C)C)c1c(C)nc(-c2c(OC)cccc2OC)nc1OC.
What is the InChIKey of N-[2-(2,6-dimethoxyphenyl)-4-methoxy-6-methylpyrimidin-5-yl]-2,2-dimethyl-N-propylpropanamide?
The InChIKey is SXKKDIXNFHJVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4/c1-9-13-25(21(26)22(3,4)5)18-14(2)23-19(24-20(18)29-8)17-15(27-6)11-10-12-16(17)28-7/h10-12H,9,13H2,1-8H3.
What are the key properties of N-[2-(2,6-dimethoxyphenyl)-4-methoxy-6-methylpyrimidin-5-yl]-2,2-dimethyl-N-propylpropanamide?
N-[2-(2,6-dimethoxyphenyl)-4-methoxy-6-methylpyrimidin-5-yl]-2,2-dimethyl-N-propylpropanamide has a molecular weight of 401.51 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethoxyphenyl)-4-methoxy-6-methylpyrimidin-5-yl]-2,2-dimethyl-N-propylpropanamide is sourced from PubChem (CID 70124077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).