N-(2,3-dimethylphenyl)-4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide

C24H27N5O2 — CID 53103954

IUPACN-(2,3-dimethylphenyl)-4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
SMILESCOc1cccc(-c2cc(N3CCN(C(=O)Nc4cccc(C)c4C)CC3)ncn2)c1
InChIInChI=1S/C24H27N5O2/c1-17-6-4-9-21(18(17)2)27-24(30)29-12-10-28(11-13-29)23-15-22(25-16-26-23)19-7-5-8-20(14-19)31-3/h4-9,14-16H,10-13H2,1-3H3,(H,27,30)
InChIKeyFZVAYLTZJLGHKW-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.12
Rot. Bonds4

About N-(2,3-dimethylphenyl)-4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide

N-(2,3-dimethylphenyl)-4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide (PubChem CID 53103954) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
PubChem CID53103954
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC NameN-(2,3-dimethylphenyl)-4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
SMILESCOc1cccc(-c2cc(N3CCN(C(=O)Nc4cccc(C)c4C)CC3)ncn2)c1
InChIInChI=1S/C24H27N5O2/c1-17-6-4-9-21(18(17)2)27-24(30)29-12-10-28(11-13-29)23-15-22(25-16-26-23)19-7-5-8-20(14-19)31-3/h4-9,14-16H,10-13H2,1-3H3,(H,27,30)
InChIKeyFZVAYLTZJLGHKW-UHFFFAOYSA-N
XLogP4.12
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-butan-2-yl]-4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 95084678
N-(2-methoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 53103891
N-(2,4-dimethoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 53103898
N-(2-chlorophenyl)-4-[6-(3,4-dimethoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 53104072
N-(3,5-dimethylphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 53010087
2-(4-chlorophenoxy)-1-[4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 50841077
6-(4-acetylpiperazin-1-yl)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109345919
N-(3-fluoro-2-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56920620
4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 71839654
3-(3-methoxyphenyl)-1-[4-[6-(2-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 50840944
N-(2,3-dimethylphenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111604
N-(4-ethylphenyl)-4-(6-phenylpyrimidin-4-yl)piperazine-1-carboxamide
CID 53104085

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide (CID 53103954) is N-(2,3-dimethylphenyl)-4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide is COc1cccc(-c2cc(N3CCN(C(=O)Nc4cccc(C)c4C)CC3)ncn2)c1.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide?
The InChIKey is FZVAYLTZJLGHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-17-6-4-9-21(18(17)2)27-24(30)29-12-10-28(11-13-29)23-15-22(25-16-26-23)19-7-5-8-20(14-19)31-3/h4-9,14-16H,10-13H2,1-3H3,(H,27,30).
What are the key properties of N-(2,3-dimethylphenyl)-4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide?
N-(2,3-dimethylphenyl)-4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 53103954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).