N-(2,4-dimethoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide

C24H27N5O4 — CID 53103898

IUPACN-(2,4-dimethoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
SMILESCOc1ccc(-c2cc(N3CCN(C(=O)Nc4ccc(OC)cc4OC)CC3)ncn2)cc1
InChIInChI=1S/C24H27N5O4/c1-31-18-6-4-17(5-7-18)21-15-23(26-16-25-21)28-10-12-29(13-11-28)24(30)27-20-9-8-19(32-2)14-22(20)33-3/h4-9,14-16H,10-13H2,1-3H3,(H,27,30)
InChIKeyYIKQVVKVXRWPKZ-UHFFFAOYSA-N
MW449.51 g/mol
LogP3.52
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide

N-(2,4-dimethoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide (PubChem CID 53103898) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
PubChem CID53103898
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC NameN-(2,4-dimethoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
SMILESCOc1ccc(-c2cc(N3CCN(C(=O)Nc4ccc(OC)cc4OC)CC3)ncn2)cc1
InChIInChI=1S/C24H27N5O4/c1-31-18-6-4-17(5-7-18)21-15-23(26-16-25-21)28-10-12-29(13-11-28)24(30)27-20-9-8-19(32-2)14-22(20)33-3/h4-9,14-16H,10-13H2,1-3H3,(H,27,30)
InChIKeyYIKQVVKVXRWPKZ-UHFFFAOYSA-N
XLogP3.52
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 53103891
N-(3,5-dimethylphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 53010087
6-(4-acetylpiperazin-1-yl)-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109345953
N-(2,3-dimethylphenyl)-4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 53103954
N-(2,4-dimethoxyphenyl)-4-(2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56921278
N-(2-chlorophenyl)-4-[6-(3,4-dimethoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 53104072
2-(2-methoxyphenoxy)-1-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 90516931
[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 90516875
N-(2,4-dimethoxyphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113112429
N-(2,4-dimethoxyphenyl)-4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carboxamide
CID 50947804
(E)-3-(2,4-dimethoxyphenyl)-1-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one
CID 108759655
2-ethyl-1-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one
CID 90516855

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide (CID 53103898) is N-(2,4-dimethoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide is COc1ccc(-c2cc(N3CCN(C(=O)Nc4ccc(OC)cc4OC)CC3)ncn2)cc1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide?
The InChIKey is YIKQVVKVXRWPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-31-18-6-4-17(5-7-18)21-15-23(26-16-25-21)28-10-12-29(13-11-28)24(30)27-20-9-8-19(32-2)14-22(20)33-3/h4-9,14-16H,10-13H2,1-3H3,(H,27,30).
What are the key properties of N-(2,4-dimethoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide?
N-(2,4-dimethoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 53103898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).