N-benzyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide

C22H24N4O3 — CID 109346649

IUPACN-benzyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide
SMILESCOc1ccc(CCNc2cc(C(=O)NCc3ccccc3)ncn2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-28-19-9-8-16(12-20(19)29-2)10-11-23-21-13-18(25-15-26-21)22(27)24-14-17-6-4-3-5-7-17/h3-9,12-13,15H,10-11,14H2,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyOJYPISFPNKGPLD-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.08
Rot. Bonds9

About N-benzyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide

N-benzyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide (PubChem CID 109346649) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-benzyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide
PubChem CID109346649
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-benzyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide
SMILESCOc1ccc(CCNc2cc(C(=O)NCc3ccccc3)ncn2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-28-19-9-8-16(12-20(19)29-2)10-11-23-21-13-18(25-15-26-21)22(27)24-14-17-6-4-3-5-7-17/h3-9,12-13,15H,10-11,14H2,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyOJYPISFPNKGPLD-UHFFFAOYSA-N
XLogP3.08
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109350430
6-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347409
N-benzyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109346723
N-[(4-methoxyphenyl)methyl]-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109349158
N-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109121525
6-[2-(3-chlorophenyl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109349168
6-[2-(3-methoxyphenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109348949
6-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109350279
N-butan-2-yl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109340809
6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109352305
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109339467
N-cyclohexyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109342014

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide (CID 109346649) is N-benzyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide is COc1ccc(CCNc2cc(C(=O)NCc3ccccc3)ncn2)cc1OC.
What is the InChIKey of N-benzyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide?
The InChIKey is OJYPISFPNKGPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-28-19-9-8-16(12-20(19)29-2)10-11-23-21-13-18(25-15-26-21)22(27)24-14-17-6-4-3-5-7-17/h3-9,12-13,15H,10-11,14H2,1-2H3,(H,24,27)(H,23,25,26).
What are the key properties of N-benzyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide?
N-benzyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.08, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109346649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).