6-[2-(2-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide

C22H25N5O2 — CID 109351161

IUPAC6-[2-(2-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
SMILESCOc1ccccc1CCNc1cc(C(=O)N(C)CCc2ccncc2)ncn1
InChIInChI=1S/C22H25N5O2/c1-27(14-10-17-7-11-23-12-8-17)22(28)19-15-21(26-16-25-19)24-13-9-18-5-3-4-6-20(18)29-2/h3-8,11-12,15-16H,9-10,13-14H2,1-2H3,(H,24,25,26)
InChIKeyDWUGJMLPMLXHGD-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.85
Rot. Bonds9

About 6-[2-(2-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide

6-[2-(2-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide (PubChem CID 109351161) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 6-[2-(2-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[2-(2-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
PubChem CID109351161
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name6-[2-(2-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
SMILESCOc1ccccc1CCNc1cc(C(=O)N(C)CCc2ccncc2)ncn1
InChIInChI=1S/C22H25N5O2/c1-27(14-10-17-7-11-23-12-8-17)22(28)19-15-21(26-16-25-19)24-13-9-18-5-3-4-6-20(18)29-2/h3-8,11-12,15-16H,9-10,13-14H2,1-2H3,(H,24,25,26)
InChIKeyDWUGJMLPMLXHGD-UHFFFAOYSA-N
XLogP2.85
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyrimidine-4-carboxamide
CID 109351170
6-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109350279
6-(3-methoxypropylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109343138
6-(2-ethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109351686
N-[2-(2-methoxyphenyl)ethyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108964258
2-[(2-methoxyphenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109306143
6-[(2-methoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109348842
4-(2-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214693
4-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214020
N-[2-(2-methoxyphenyl)ethyl]-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109214259
6-(butylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109339848
6-(butan-2-ylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109340614

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[2-(2-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide (CID 109351161) is 6-[2-(2-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[2-(2-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[2-(2-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide is COc1ccccc1CCNc1cc(C(=O)N(C)CCc2ccncc2)ncn1.
What is the InChIKey of 6-[2-(2-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The InChIKey is DWUGJMLPMLXHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-27(14-10-17-7-11-23-12-8-17)22(28)19-15-21(26-16-25-19)24-13-9-18-5-3-4-6-20(18)29-2/h3-8,11-12,15-16H,9-10,13-14H2,1-2H3,(H,24,25,26).
What are the key properties of 6-[2-(2-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
6-[2-(2-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109351161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).