N-(2,4-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide

C21H20F2N4O2 — CID 109331038

IUPACN-(2,4-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
SMILESCOc1cccc(CCNc2nc(C)cc(C(=O)Nc3ccc(F)cc3F)n2)c1
InChIInChI=1S/C21H20F2N4O2/c1-13-10-19(20(28)26-18-7-6-15(22)12-17(18)23)27-21(25-13)24-9-8-14-4-3-5-16(11-14)29-2/h3-7,10-12H,8-9H2,1-2H3,(H,26,28)(H,24,25,27)
InChIKeyMZNNNVPHKZCAPP-UHFFFAOYSA-N
MW398.41 g/mol
LogP3.98
Rot. Bonds7

About N-(2,4-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide

N-(2,4-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide (PubChem CID 109331038) has the molecular formula C21H20F2N4O2 and a molecular weight of 398.41 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
PubChem CID109331038
Molecular FormulaC21H20F2N4O2
Molecular Weight398.41 g/mol
Exact Mass398.16
IUPAC NameN-(2,4-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
SMILESCOc1cccc(CCNc2nc(C)cc(C(=O)Nc3ccc(F)cc3F)n2)c1
InChIInChI=1S/C21H20F2N4O2/c1-13-10-19(20(28)26-18-7-6-15(22)12-17(18)23)27-21(25-13)24-9-8-14-4-3-5-16(11-14)29-2/h3-7,10-12H,8-9H2,1-2H3,(H,26,28)(H,24,25,27)
InChIKeyMZNNNVPHKZCAPP-UHFFFAOYSA-N
XLogP3.98
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109331030
2-[2-(4-chlorophenyl)ethylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109331701
2-[2-(4-fluorophenyl)ethylamino]-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109330842
2-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334311
2-[(4-fluorophenyl)methylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109328692
2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109327090
2-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-difluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109323362
2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331076
N-(2-fluorophenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329277
4-N-[2-(4-fluorophenyl)ethyl]-2-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920736
azepan-1-yl-[2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidin-4-yl]methanone
CID 109331013
2-(butylamino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109320543

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide (CID 109331038) is N-(2,4-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide is COc1cccc(CCNc2nc(C)cc(C(=O)Nc3ccc(F)cc3F)n2)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide?
The InChIKey is MZNNNVPHKZCAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O2/c1-13-10-19(20(28)26-18-7-6-15(22)12-17(18)23)27-21(25-13)24-9-8-14-4-3-5-16(11-14)29-2/h3-7,10-12H,8-9H2,1-2H3,(H,26,28)(H,24,25,27).
What are the key properties of N-(2,4-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide?
N-(2,4-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide has a molecular weight of 398.41 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109331038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).