N-[2-(4-chlorophenyl)ethyl]-6-(2-fluoroanilino)-2-methylpyrimidine-4-carboxamide

C20H18ClFN4O — CID 109372800

IUPACN-[2-(4-chlorophenyl)ethyl]-6-(2-fluoroanilino)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccccc2F)cc(C(=O)NCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H18ClFN4O/c1-13-24-18(12-19(25-13)26-17-5-3-2-4-16(17)22)20(27)23-11-10-14-6-8-15(21)9-7-14/h2-9,12H,10-11H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyRITNTWXNTBMIEN-UHFFFAOYSA-N
MW384.84 g/mol
LogP4.29
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-6-(2-fluoroanilino)-2-methylpyrimidine-4-carboxamide

N-[2-(4-chlorophenyl)ethyl]-6-(2-fluoroanilino)-2-methylpyrimidine-4-carboxamide (PubChem CID 109372800) has the molecular formula C20H18ClFN4O and a molecular weight of 384.84 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-6-(2-fluoroanilino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-6-(2-fluoroanilino)-2-methylpyrimidine-4-carboxamide
PubChem CID109372800
Molecular FormulaC20H18ClFN4O
Molecular Weight384.84 g/mol
Exact Mass384.12
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-6-(2-fluoroanilino)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccccc2F)cc(C(=O)NCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H18ClFN4O/c1-13-24-18(12-19(25-13)26-17-5-3-2-4-16(17)22)20(27)23-11-10-14-6-8-15(21)9-7-14/h2-9,12H,10-11H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyRITNTWXNTBMIEN-UHFFFAOYSA-N
XLogP4.29
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109371993
6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109371999
6-(2,4-difluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372241
N-[2-(4-chlorophenyl)ethyl]-6-(4-cyanoanilino)-2-methylpyrimidine-4-carboxamide
CID 109372808
6-(2-fluoroanilino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368872
6-(4-fluoroanilino)-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109371585
6-(2-fluoroanilino)-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 112849811
6-(2,5-dichloroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849859
6-(3-chloro-4-fluoroanilino)-2-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109373594
6-(2-chloroanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369705
N-[2-(4-chlorophenyl)ethyl]-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109365029
6-(2-fluoroanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848419

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-(2-fluoroanilino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-(2-fluoroanilino)-2-methylpyrimidine-4-carboxamide (CID 109372800) is N-[2-(4-chlorophenyl)ethyl]-6-(2-fluoroanilino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-6-(2-fluoroanilino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-6-(2-fluoroanilino)-2-methylpyrimidine-4-carboxamide is Cc1nc(Nc2ccccc2F)cc(C(=O)NCCc2ccc(Cl)cc2)n1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-6-(2-fluoroanilino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is RITNTWXNTBMIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O/c1-13-24-18(12-19(25-13)26-17-5-3-2-4-16(17)22)20(27)23-11-10-14-6-8-15(21)9-7-14/h2-9,12H,10-11H2,1H3,(H,23,27)(H,24,25,26).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-6-(2-fluoroanilino)-2-methylpyrimidine-4-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-6-(2-fluoroanilino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 384.84 g/mol, XLogP of 4.29, 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-fluoroanilino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109372800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).