2-(3-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide

C20H18ClFN4O — CID 109330771

IUPAC2-(3-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCc2ccccc2F)nc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C20H18ClFN4O/c1-13-11-18(19(27)23-10-9-14-5-2-3-8-17(14)22)26-20(24-13)25-16-7-4-6-15(21)12-16/h2-8,11-12H,9-10H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyVPNLEYNKGOCDBQ-UHFFFAOYSA-N
MW384.84 g/mol
LogP4.29
Rot. Bonds6

About 2-(3-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide

2-(3-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide (PubChem CID 109330771) has the molecular formula C20H18ClFN4O and a molecular weight of 384.84 g/mol. Its IUPAC name is 2-(3-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
PubChem CID109330771
Molecular FormulaC20H18ClFN4O
Molecular Weight384.84 g/mol
Exact Mass384.12
IUPAC Name2-(3-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCc2ccccc2F)nc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C20H18ClFN4O/c1-13-11-18(19(27)23-10-9-14-5-2-3-8-17(14)22)26-20(24-13)25-16-7-4-6-15(21)12-16/h2-8,11-12H,9-10H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyVPNLEYNKGOCDBQ-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

2-(3-acetylanilino)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109330783
N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109330766
2-(1,3-benzodioxol-5-ylamino)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109330787
2-(3-chloro-4-methylanilino)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328586
2-(3-chloroanilino)-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337037
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109330975
2-(2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109330790
2-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329352
2-(butan-2-ylamino)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109321216
N-[2-(2-fluorophenyl)ethyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109323883
N-[2-(2-fluorophenyl)ethyl]-2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109330734
N-[2-(2-fluorophenyl)ethyl]-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329095

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(3-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide (CID 109330771) is 2-(3-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)NCCc2ccccc2F)nc(Nc2cccc(Cl)c2)n1.
What is the InChIKey of 2-(3-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is VPNLEYNKGOCDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O/c1-13-11-18(19(27)23-10-9-14-5-2-3-8-17(14)22)26-20(24-13)25-16-7-4-6-15(21)12-16/h2-8,11-12H,9-10H2,1H3,(H,23,27)(H,24,25,26).
What are the key properties of 2-(3-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
2-(3-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]-6-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 2-(3-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109330771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).