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

C21H20F2N4O — CID 109328635

IUPACN-[2-(4-fluorophenyl)ethyl]-2-[(4-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCc2ccc(F)cc2)nc(NCc2ccc(F)cc2)n1
InChIInChI=1S/C21H20F2N4O/c1-14-12-19(20(28)24-11-10-15-2-6-17(22)7-3-15)27-21(26-14)25-13-16-4-8-18(23)9-5-16/h2-9,12H,10-11,13H2,1H3,(H,24,28)(H,25,26,27)
InChIKeyDYRLHZOYLSLYMG-UHFFFAOYSA-N
MW382.41 g/mol
LogP3.65
Rot. Bonds7

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

N-[2-(4-fluorophenyl)ethyl]-2-[(4-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide (PubChem CID 109328635) has the molecular formula C21H20F2N4O and a molecular weight of 382.41 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-[(4-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-[(4-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
PubChem CID109328635
Molecular FormulaC21H20F2N4O
Molecular Weight382.41 g/mol
Exact Mass382.16
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-[(4-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCc2ccc(F)cc2)nc(NCc2ccc(F)cc2)n1
InChIInChI=1S/C21H20F2N4O/c1-14-12-19(20(28)24-11-10-15-2-6-17(22)7-3-15)27-21(26-14)25-13-16-4-8-18(23)9-5-16/h2-9,12H,10-11,13H2,1H3,(H,24,28)(H,25,26,27)
InChIKeyDYRLHZOYLSLYMG-UHFFFAOYSA-N
XLogP3.65
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109328638
N-[2-(4-fluorophenyl)ethyl]-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320072
N-[2-(4-fluorophenyl)ethyl]-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide
CID 109330867
N-[2-(2-fluorophenyl)ethyl]-2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109330734
N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327800
2-[(4-fluorophenyl)methylamino]-6-methyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 109320251
2-[2-(4-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329169
N-benzyl-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109327222
N-[(2-fluorophenyl)methyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109328531
2-[2-(4-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328541
2-[(1,1-dioxothiolan-3-yl)amino]-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109330861
2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109327090

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[(4-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[(4-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide (CID 109328635) is N-[2-(4-fluorophenyl)ethyl]-2-[(4-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-[(4-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-[(4-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)NCCc2ccc(F)cc2)nc(NCc2ccc(F)cc2)n1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-[(4-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide?
The InChIKey is DYRLHZOYLSLYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O/c1-14-12-19(20(28)24-11-10-15-2-6-17(22)7-3-15)27-21(26-14)25-13-16-4-8-18(23)9-5-16/h2-9,12H,10-11,13H2,1H3,(H,24,28)(H,25,26,27).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-[(4-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-2-[(4-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide has a molecular weight of 382.41 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-[(4-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109328635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).