N-[2-(4-chlorophenyl)ethyl]-6-(2,6-difluoroanilino)pyrimidine-4-carboxamide

C19H15ClF2N4O — CID 109352406

IUPACN-[2-(4-chlorophenyl)ethyl]-6-(2,6-difluoroanilino)pyrimidine-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cc(Nc2c(F)cccc2F)ncn1
InChIInChI=1S/C19H15ClF2N4O/c20-13-6-4-12(5-7-13)8-9-23-19(27)16-10-17(25-11-24-16)26-18-14(21)2-1-3-15(18)22/h1-7,10-11H,8-9H2,(H,23,27)(H,24,25,26)
InChIKeyVRAJLWDDLKQASX-UHFFFAOYSA-N
MW388.81 g/mol
LogP4.12
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-6-(2,6-difluoroanilino)pyrimidine-4-carboxamide

N-[2-(4-chlorophenyl)ethyl]-6-(2,6-difluoroanilino)pyrimidine-4-carboxamide (PubChem CID 109352406) has the molecular formula C19H15ClF2N4O and a molecular weight of 388.81 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-6-(2,6-difluoroanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-6-(2,6-difluoroanilino)pyrimidine-4-carboxamide
PubChem CID109352406
Molecular FormulaC19H15ClF2N4O
Molecular Weight388.81 g/mol
Exact Mass388.09
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-6-(2,6-difluoroanilino)pyrimidine-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cc(Nc2c(F)cccc2F)ncn1
InChIInChI=1S/C19H15ClF2N4O/c20-13-6-4-12(5-7-13)8-9-23-19(27)16-10-17(25-11-24-16)26-18-14(21)2-1-3-15(18)22/h1-7,10-11H,8-9H2,(H,23,27)(H,24,25,26)
InChIKeyVRAJLWDDLKQASX-UHFFFAOYSA-N
XLogP4.12
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.81
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(4-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350546
6-(2,6-difluoroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348491
6-(3-acetylanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109352397
6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350640
N-[2-(4-chlorophenyl)ethyl]-6-(2-ethoxyanilino)pyrimidine-4-carboxamide
CID 109352394
N-[2-(4-chlorophenyl)ethyl]-6-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109341245
6-[(4-chlorophenyl)methylamino]-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109348749
6-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-4-carboxamide
CID 109338491
6-[2-(4-chlorophenyl)ethylamino]-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109352329
6-(3-fluoroanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350623
6-[2-(3-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350566
N-cyclopropyl-6-(2,6-difluoroanilino)pyrimidine-4-carboxamide
CID 109339410

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-(2,6-difluoroanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-(2,6-difluoroanilino)pyrimidine-4-carboxamide (CID 109352406) is N-[2-(4-chlorophenyl)ethyl]-6-(2,6-difluoroanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-6-(2,6-difluoroanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-6-(2,6-difluoroanilino)pyrimidine-4-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1cc(Nc2c(F)cccc2F)ncn1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-6-(2,6-difluoroanilino)pyrimidine-4-carboxamide?
The InChIKey is VRAJLWDDLKQASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N4O/c20-13-6-4-12(5-7-13)8-9-23-19(27)16-10-17(25-11-24-16)26-18-14(21)2-1-3-15(18)22/h1-7,10-11H,8-9H2,(H,23,27)(H,24,25,26).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-6-(2,6-difluoroanilino)pyrimidine-4-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-6-(2,6-difluoroanilino)pyrimidine-4-carboxamide has a molecular weight of 388.81 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-6-(2,6-difluoroanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109352406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).