N-(4-fluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide

C21H21FN4O2 — CID 109331030

IUPACN-(4-fluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
SMILESCOc1cccc(CCNc2nc(C)cc(C(=O)Nc3ccc(F)cc3)n2)c1
InChIInChI=1S/C21H21FN4O2/c1-14-12-19(20(27)25-17-8-6-16(22)7-9-17)26-21(24-14)23-11-10-15-4-3-5-18(13-15)28-2/h3-9,12-13H,10-11H2,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyNHDGYUHQKYHWIF-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.84
Rot. Bonds7

About N-(4-fluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide

N-(4-fluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide (PubChem CID 109331030) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
PubChem CID109331030
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC NameN-(4-fluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
SMILESCOc1cccc(CCNc2nc(C)cc(C(=O)Nc3ccc(F)cc3)n2)c1
InChIInChI=1S/C21H21FN4O2/c1-14-12-19(20(27)25-17-8-6-16(22)7-9-17)26-21(24-14)23-11-10-15-4-3-5-18(13-15)28-2/h3-9,12-13H,10-11H2,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyNHDGYUHQKYHWIF-UHFFFAOYSA-N
XLogP3.84
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-fluorophenyl)ethylamino]-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109330842
N-(2,4-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109331038
2-[(4-fluorophenyl)methylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109328692
2-[2-(4-chlorophenyl)ethylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109331701
2-(4-fluoroanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336848
N-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308723
2-(butylamino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109320543
2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331076
4-N-[2-(4-fluorophenyl)ethyl]-2-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920736
2-(benzylamino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109327159
2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109327090
N-(4-tert-butylphenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330392

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide (CID 109331030) is N-(4-fluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide is COc1cccc(CCNc2nc(C)cc(C(=O)Nc3ccc(F)cc3)n2)c1.
What is the InChIKey of N-(4-fluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide?
The InChIKey is NHDGYUHQKYHWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-14-12-19(20(27)25-17-8-6-16(22)7-9-17)26-21(24-14)23-11-10-15-4-3-5-18(13-15)28-2/h3-9,12-13H,10-11H2,1-2H3,(H,25,27)(H,23,24,26).
What are the key properties of N-(4-fluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide?
N-(4-fluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109331030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).