4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide

C24H28N6O2 — CID 42847732

IUPAC4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide
SMILESCOc1nc(N2CCN(c3ccccc3C)CC2)ncc1C(=O)NCCc1ccccn1
InChIInChI=1S/C24H28N6O2/c1-18-7-3-4-9-21(18)29-13-15-30(16-14-29)24-27-17-20(23(28-24)32-2)22(31)26-12-10-19-8-5-6-11-25-19/h3-9,11,17H,10,12-16H2,1-2H3,(H,26,31)
InChIKeyXHPJAYKSSYHYMG-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.49
Rot. Bonds7

About 4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide

4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide (PubChem CID 42847732) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide
PubChem CID42847732
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide
SMILESCOc1nc(N2CCN(c3ccccc3C)CC2)ncc1C(=O)NCCc1ccccn1
InChIInChI=1S/C24H28N6O2/c1-18-7-3-4-9-21(18)29-13-15-30(16-14-29)24-27-17-20(23(28-24)32-2)22(31)26-12-10-19-8-5-6-11-25-19/h3-9,11,17H,10,12-16H2,1-2H3,(H,26,31)
InChIKeyXHPJAYKSSYHYMG-UHFFFAOYSA-N
XLogP2.49
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
CID 42847731
2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methoxy-N-(2-methoxyethyl)pyrimidine-5-carboxamide
CID 42847722
2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-methoxy-N-prop-2-enylpyrimidine-5-carboxamide
CID 46037141
4-(5-bromo-4-methoxypyrimidin-2-yl)-N'-methyl-N-(2-pyridin-2-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 109459859
5-cyclopropyl-1-(2-methylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 37002386
2-[4-(2-cyanophenyl)piperazin-1-yl]-4-methoxy-N-prop-2-enylpyrimidine-5-carboxamide
CID 42847771
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-4-methoxypyrimidine-5-carboxamide
CID 42847745
2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-4-methoxy-N-propylpyrimidine-5-carboxamide
CID 46037159
4-(2-methoxyphenyl)-N-(2-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 51274227
2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid
CID 43396615
2-(4-ethylpiperazin-1-yl)-4-methyl-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 66505285
N-[2-(2-methoxyphenyl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 66505284

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide (CID 42847732) is 4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide is COc1nc(N2CCN(c3ccccc3C)CC2)ncc1C(=O)NCCc1ccccn1.
What is the InChIKey of 4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide?
The InChIKey is XHPJAYKSSYHYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-18-7-3-4-9-21(18)29-13-15-30(16-14-29)24-27-17-20(23(28-24)32-2)22(31)26-12-10-19-8-5-6-11-25-19/h3-9,11,17H,10,12-16H2,1-2H3,(H,26,31).
What are the key properties of 4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide?
4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide has a molecular weight of 432.53 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 42847732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).