N-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyrimidine-4-carboxamide

C19H26N4O2 — CID 109351170

IUPACN-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(NCCc2ccccc2OC)ncn1
InChIInChI=1S/C19H26N4O2/c1-4-5-12-23(2)19(24)16-13-18(22-14-21-16)20-11-10-15-8-6-7-9-17(15)25-3/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,20,21,22)
InChIKeyNNYRWLWPPSSQPZ-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.01
Rot. Bonds9

About N-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyrimidine-4-carboxamide

N-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyrimidine-4-carboxamide (PubChem CID 109351170) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyrimidine-4-carboxamide
PubChem CID109351170
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(NCCc2ccccc2OC)ncn1
InChIInChI=1S/C19H26N4O2/c1-4-5-12-23(2)19(24)16-13-18(22-14-21-16)20-11-10-15-8-6-7-9-17(15)25-3/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,20,21,22)
InChIKeyNNYRWLWPPSSQPZ-UHFFFAOYSA-N
XLogP3.01
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(2-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109351161
6-(butylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109339848
N-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide
CID 109158752
6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112855105
N-butyl-6-[2-(4-chlorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide
CID 109352334
N-butyl-6-(3,4-dimethoxyanilino)-N-methylpyrimidine-4-carboxamide
CID 109354790
N-butan-2-yl-6-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109340798
N-butyl-N-methyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109352286
6-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109350279
N-(3,5-dimethylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351185
6-(tert-butylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109351230
N-butyl-6-(3,4-dimethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109354751

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyrimidine-4-carboxamide?
The IUPAC name of N-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyrimidine-4-carboxamide (CID 109351170) is N-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyrimidine-4-carboxamide is CCCCN(C)C(=O)c1cc(NCCc2ccccc2OC)ncn1.
What is the InChIKey of N-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyrimidine-4-carboxamide?
The InChIKey is NNYRWLWPPSSQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-4-5-12-23(2)19(24)16-13-18(22-14-21-16)20-11-10-15-8-6-7-9-17(15)25-3/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,20,21,22).
What are the key properties of N-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyrimidine-4-carboxamide?
N-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyrimidine-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109351170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).