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

C20H17F3N4O — CID 109371822

IUPACN-(3,4-difluorophenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(NCCc2ccccc2F)cc(C(=O)Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C20H17F3N4O/c1-12-25-18(20(28)27-14-6-7-16(22)17(23)10-14)11-19(26-12)24-9-8-13-4-2-3-5-15(13)21/h2-7,10-11H,8-9H2,1H3,(H,27,28)(H,24,25,26)
InChIKeyRJEJOWROWHXNRU-UHFFFAOYSA-N
MW386.38 g/mol
LogP4.11
Rot. Bonds6

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

N-(3,4-difluorophenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide (PubChem CID 109371822) has the molecular formula C20H17F3N4O and a molecular weight of 386.38 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
PubChem CID109371822
Molecular FormulaC20H17F3N4O
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC NameN-(3,4-difluorophenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(NCCc2ccccc2F)cc(C(=O)Nc2ccc(F)c(F)c2)n1
InChIInChI=1S/C20H17F3N4O/c1-12-25-18(20(28)27-14-6-7-16(22)17(23)10-14)11-19(26-12)24-9-8-13-4-2-3-5-15(13)21/h2-7,10-11H,8-9H2,1H3,(H,27,28)(H,24,25,26)
InChIKeyRJEJOWROWHXNRU-UHFFFAOYSA-N
XLogP4.11
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109371777
N-(4-ethoxyphenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109371808
N-(2,6-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109371788
N-(4-chlorophenyl)-6-[(2-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109369606
6-(benzylamino)-N-(3,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109368359
N-(3,4-difluorophenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846806
N-(2,4-dimethylphenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109371784
N-cyclopropyl-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109361002
6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369036
N-[2-(2-fluorophenyl)ethyl]-2-methyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109371828
6-[(2-fluorophenyl)methylamino]-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109369598
N-(3,4-difluorophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109368072

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide (CID 109371822) is N-(3,4-difluorophenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide is Cc1nc(NCCc2ccccc2F)cc(C(=O)Nc2ccc(F)c(F)c2)n1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide?
The InChIKey is RJEJOWROWHXNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O/c1-12-25-18(20(28)27-14-6-7-16(22)17(23)10-14)11-19(26-12)24-9-8-13-4-2-3-5-15(13)21/h2-7,10-11H,8-9H2,1H3,(H,27,28)(H,24,25,26).
What are the key properties of N-(3,4-difluorophenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide?
N-(3,4-difluorophenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide has a molecular weight of 386.38 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109371822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).