N-(2,6-difluorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide

C20H18F2N4O2 — CID 109260319

IUPACN-(2,6-difluorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
SMILESCOc1ccccc1CCNc1ncc(C(=O)Nc2c(F)cccc2F)cn1
InChIInChI=1S/C20H18F2N4O2/c1-28-17-8-3-2-5-13(17)9-10-23-20-24-11-14(12-25-20)19(27)26-18-15(21)6-4-7-16(18)22/h2-8,11-12H,9-10H2,1H3,(H,26,27)(H,23,24,25)
InChIKeyCIMBUJSFQJYGHV-UHFFFAOYSA-N
MW384.39 g/mol
LogP3.67
Rot. Bonds7

About N-(2,6-difluorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide

N-(2,6-difluorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide (PubChem CID 109260319) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
PubChem CID109260319
Molecular FormulaC20H18F2N4O2
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC NameN-(2,6-difluorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
SMILESCOc1ccccc1CCNc1ncc(C(=O)Nc2c(F)cccc2F)cn1
InChIInChI=1S/C20H18F2N4O2/c1-28-17-8-3-2-5-13(17)9-10-23-20-24-11-14(12-25-20)19(27)26-18-15(21)6-4-7-16(18)22/h2-8,11-12H,9-10H2,1H3,(H,26,27)(H,23,24,25)
InChIKeyCIMBUJSFQJYGHV-UHFFFAOYSA-N
XLogP3.67
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109257016
N-(2-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 109260301
N-(3-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 109260302
N-[2-(2-methoxyphenyl)ethyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109247890
2-[2-(2-fluorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide
CID 109246508
2-[2-(2-methoxyphenyl)ethylamino]-N,N-dipropylpyrimidine-5-carboxamide
CID 109260270
N-(2,6-diethylphenyl)-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 109251583
N-(4-fluorophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109158776
N-(3-chloro-4-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109257939
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-2,6-dimethoxybenzamide
CID 113028188
N-(2,6-difluorophenyl)-2-(2,4-dimethoxyanilino)pyrimidine-5-carboxamide
CID 109269969
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113028190

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide (CID 109260319) is N-(2,6-difluorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide is COc1ccccc1CCNc1ncc(C(=O)Nc2c(F)cccc2F)cn1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide?
The InChIKey is CIMBUJSFQJYGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c1-28-17-8-3-2-5-13(17)9-10-23-20-24-11-14(12-25-20)19(27)26-18-15(21)6-4-7-16(18)22/h2-8,11-12H,9-10H2,1H3,(H,26,27)(H,23,24,25).
What are the key properties of N-(2,6-difluorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide?
N-(2,6-difluorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide has a molecular weight of 384.39 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109260319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).