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

C22H23FN4O2 — CID 109350844

IUPAC6-[2-(2-fluorophenyl)ethylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc(NCCc3ccccc3F)ncn2)c1
InChIInChI=1S/C22H23FN4O2/c1-29-18-7-4-5-16(13-18)9-11-25-22(28)20-14-21(27-15-26-20)24-12-10-17-6-2-3-8-19(17)23/h2-8,13-15H,9-12H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyIJTLDFHJDNOAAD-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.25
Rot. Bonds9

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

6-[2-(2-fluorophenyl)ethylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide (PubChem CID 109350844) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 6-[2-(2-fluorophenyl)ethylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[2-(2-fluorophenyl)ethylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
PubChem CID109350844
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name6-[2-(2-fluorophenyl)ethylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc(NCCc3ccccc3F)ncn2)c1
InChIInChI=1S/C22H23FN4O2/c1-29-18-7-4-5-16(13-18)9-11-25-22(28)20-14-21(27-15-26-20)24-12-10-17-6-2-3-8-19(17)23/h2-8,13-15H,9-12H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyIJTLDFHJDNOAAD-UHFFFAOYSA-N
XLogP3.25
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(2-fluorophenyl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109350845
6-[2-(3-methoxyphenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109348949
6-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109351294
6-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide
CID 109351295
N-[2-(3-methoxyphenyl)ethyl]-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109351358
6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340422
6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide
CID 109351301
6-[2-(4-fluorophenyl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109351005
6-[2-(2-fluorophenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide
CID 109350857
6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109351302
6-[2-(3-methoxyphenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109351304
N-(2-fluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351447

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-fluorophenyl)ethylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[2-(2-fluorophenyl)ethylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide (CID 109350844) is 6-[2-(2-fluorophenyl)ethylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[2-(2-fluorophenyl)ethylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[2-(2-fluorophenyl)ethylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide is COc1cccc(CCNC(=O)c2cc(NCCc3ccccc3F)ncn2)c1.
What is the InChIKey of 6-[2-(2-fluorophenyl)ethylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is IJTLDFHJDNOAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-29-18-7-4-5-16(13-18)9-11-25-22(28)20-14-21(27-15-26-20)24-12-10-17-6-2-3-8-19(17)23/h2-8,13-15H,9-12H2,1H3,(H,25,28)(H,24,26,27).
What are the key properties of 6-[2-(2-fluorophenyl)ethylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide?
6-[2-(2-fluorophenyl)ethylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 3.25, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-fluorophenyl)ethylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109350844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).