N-[(2-fluorophenyl)methyl]-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide

C21H21FN4O2 — CID 109328594

IUPACN-[(2-fluorophenyl)methyl]-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(C)cc1Nc1nc(C)cc(C(=O)NCc2ccccc2F)n1
InChIInChI=1S/C21H21FN4O2/c1-13-8-9-19(28-3)17(10-13)25-21-24-14(2)11-18(26-21)20(27)23-12-15-6-4-5-7-16(15)22/h4-11H,12H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyIDQPKUIKCXWNSC-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.91
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide

N-[(2-fluorophenyl)methyl]-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109328594) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide
PubChem CID109328594
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC NameN-[(2-fluorophenyl)methyl]-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(C)cc1Nc1nc(C)cc(C(=O)NCc2ccccc2F)n1
InChIInChI=1S/C21H21FN4O2/c1-13-8-9-19(28-3)17(10-13)25-21-24-14(2)11-18(26-21)20(27)23-12-15-6-4-5-7-16(15)22/h4-11H,12H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyIDQPKUIKCXWNSC-UHFFFAOYSA-N
XLogP3.91
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-(2-methoxy-5-methylanilino)pyrimidine-5-carboxamide
CID 109256961
2-(2-methoxy-5-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304129
N-(2-ethyl-6-methylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336476
1-[(2-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea
CID 970798
1-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
CID 109047212
2-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
CID 109086465
N-(2,5-dimethylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109335777
2-(2-fluoroanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336731
N-[2-(2-fluorophenyl)ethyl]-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329095
2-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336963
N-(3,4-dimethoxyphenyl)-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109328498
N-benzyl-2-(2-methoxy-5-methylanilino)-N,6-dimethylpyrimidine-4-carboxamide
CID 109328390

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide (CID 109328594) is N-[(2-fluorophenyl)methyl]-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide is COc1ccc(C)cc1Nc1nc(C)cc(C(=O)NCc2ccccc2F)n1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is IDQPKUIKCXWNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-13-8-9-19(28-3)17(10-13)25-21-24-14(2)11-18(26-21)20(27)23-12-15-6-4-5-7-16(15)22/h4-11H,12H2,1-3H3,(H,23,27)(H,24,25,26).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide?
N-[(2-fluorophenyl)methyl]-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109328594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).