2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide

C22H23FN4O2 — CID 109328638

IUPAC2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(C)nc(NCc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C22H23FN4O2/c1-15-13-20(21(28)24-12-11-16-5-9-19(29-2)10-6-16)27-22(26-15)25-14-17-3-7-18(23)8-4-17/h3-10,13H,11-12,14H2,1-2H3,(H,24,28)(H,25,26,27)
InChIKeyBQGMELGVBRYMFS-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.52
Rot. Bonds8

About 2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide

2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide (PubChem CID 109328638) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
PubChem CID109328638
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(C)nc(NCc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C22H23FN4O2/c1-15-13-20(21(28)24-12-11-16-5-9-19(29-2)10-6-16)27-22(26-15)25-14-17-3-7-18(23)8-4-17/h3-10,13H,11-12,14H2,1-2H3,(H,24,28)(H,25,26,27)
InChIKeyBQGMELGVBRYMFS-UHFFFAOYSA-N
XLogP3.52
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-[(4-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109328635
2-[2-(4-fluorophenyl)ethylamino]-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109330842
2-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331159
2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109327090
N-[2-(2-fluorophenyl)ethyl]-2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109330734
N-[2-(4-fluorophenyl)ethyl]-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide
CID 109330867
N-[2-(4-fluorophenyl)ethyl]-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320072
N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109329621
2-[2-(4-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329169
6-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109348269
2-[(4-fluorophenyl)methylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109328692
N-[2-(4-fluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212249

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide (CID 109328638) is 2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide is COc1ccc(CCNC(=O)c2cc(C)nc(NCc3ccc(F)cc3)n2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is BQGMELGVBRYMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-15-13-20(21(28)24-12-11-16-5-9-19(29-2)10-6-16)27-22(26-15)25-14-17-3-7-18(23)8-4-17/h3-10,13H,11-12,14H2,1-2H3,(H,24,28)(H,25,26,27).
What are the key properties of 2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide?
2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109328638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).