N-(3-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide

C21H22N4O3 — CID 109260302

IUPACN-(3-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
SMILESCOc1cccc(NC(=O)c2cnc(NCCc3ccccc3OC)nc2)c1
InChIInChI=1S/C21H22N4O3/c1-27-18-8-5-7-17(12-18)25-20(26)16-13-23-21(24-14-16)22-11-10-15-6-3-4-9-19(15)28-2/h3-9,12-14H,10-11H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyBTLOPECJPACWAH-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.40
Rot. Bonds8

About N-(3-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide

N-(3-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide (PubChem CID 109260302) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
PubChem CID109260302
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-(3-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
SMILESCOc1cccc(NC(=O)c2cnc(NCCc3ccccc3OC)nc2)c1
InChIInChI=1S/C21H22N4O3/c1-27-18-8-5-7-17(12-18)25-20(26)16-13-23-21(24-14-16)22-11-10-15-6-3-4-9-19(15)28-2/h3-9,12-14H,10-11H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyBTLOPECJPACWAH-UHFFFAOYSA-N
XLogP3.40
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 109260301
N-(3-methoxyphenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263795
N-(2,6-difluorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 109260319
N-(3-chlorophenyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109257933
2-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257842
N-(3-methoxyphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256295
N-(3-methoxyphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109259037
1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 2207277
N-(3-fluorophenyl)-5-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109192588
2-(4-fluoroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109268538
2-[(2-methoxyphenyl)methylamino]-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109257950
methyl 3-[[5-[(3-methoxyphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109269515

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide (CID 109260302) is N-(3-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide is COc1cccc(NC(=O)c2cnc(NCCc3ccccc3OC)nc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide?
The InChIKey is BTLOPECJPACWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-27-18-8-5-7-17(12-18)25-20(26)16-13-23-21(24-14-16)22-11-10-15-6-3-4-9-19(15)28-2/h3-9,12-14H,10-11H2,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(3-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide?
N-(3-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109260302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).