2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-5-carboxamide

C20H19FN4O3 — CID 109261551

IUPAC2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(CNc2ncc(C(=O)Nc3ccc(F)cc3)cn2)cc1OC
InChIInChI=1S/C20H19FN4O3/c1-27-17-8-3-13(9-18(17)28-2)10-22-20-23-11-14(12-24-20)19(26)25-16-6-4-15(21)5-7-16/h3-9,11-12H,10H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyYDPKZXHOWUMBEB-UHFFFAOYSA-N
MW382.40 g/mol
LogP3.50
Rot. Bonds7

About 2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-5-carboxamide

2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-5-carboxamide (PubChem CID 109261551) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-5-carboxamide
PubChem CID109261551
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC Name2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(CNc2ncc(C(=O)Nc3ccc(F)cc3)cn2)cc1OC
InChIInChI=1S/C20H19FN4O3/c1-27-17-8-3-13(9-18(17)28-2)10-22-20-23-11-14(12-24-20)19(26)25-16-6-4-15(21)5-7-16/h3-9,11-12H,10H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyYDPKZXHOWUMBEB-UHFFFAOYSA-N
XLogP3.50
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-fluorophenyl)pyrimidine-5-carboxamide
CID 109261372
2-(3,4-dimethoxyanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257218
N-(3,4-difluorophenyl)-6-[(3,4-dimethoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109159919
6-[(3,4-dimethoxyphenyl)methylamino]-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 109159913
N-(4-fluorophenyl)-4-[[(5-methylpyrimidin-2-yl)amino]methyl]benzamide
CID 133404406
2-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259114
N-(3,4-dimethoxyphenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 109248760
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109258158
N-(3,4-dimethoxyphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide
CID 109267530
2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)pyrimidine-5-carboxamide
CID 109268468
N-(4-fluorophenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246780
N-(3,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109192451

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-5-carboxamide (CID 109261551) is 2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-5-carboxamide is COc1ccc(CNc2ncc(C(=O)Nc3ccc(F)cc3)cn2)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-5-carboxamide?
The InChIKey is YDPKZXHOWUMBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c1-27-17-8-3-13(9-18(17)28-2)10-22-20-23-11-14(12-24-20)19(26)25-16-6-4-15(21)5-7-16/h3-9,11-12H,10H2,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of 2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-5-carboxamide?
2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-5-carboxamide has a molecular weight of 382.40 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109261551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).