N-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-4,6-bis(4-fluorophenyl)pyrimidine-2-carboxamide

C30H30F2N4O3 — CID 86302989

IUPACN-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-4,6-bis(4-fluorophenyl)pyrimidine-2-carboxamide
SMILESCCN(CC)CCOc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)cc(-c3ccc(F)cc3)n2)cc1OC
InChIInChI=1S/C30H30F2N4O3/c1-4-36(5-2)16-17-39-27-15-14-24(18-28(27)38-3)33-30(37)29-34-25(20-6-10-22(31)11-7-20)19-26(35-29)21-8-12-23(32)13-9-21/h6-15,18-19H,4-5,16-17H2,1-3H3,(H,33,37)
InChIKeyANZUHYNBGSXOON-UHFFFAOYSA-N
MW532.59 g/mol
LogP6.07
Rot. Bonds11

About N-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-4,6-bis(4-fluorophenyl)pyrimidine-2-carboxamide

N-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-4,6-bis(4-fluorophenyl)pyrimidine-2-carboxamide (PubChem CID 86302989) has the molecular formula C30H30F2N4O3 and a molecular weight of 532.59 g/mol. Its IUPAC name is N-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-4,6-bis(4-fluorophenyl)pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-4,6-bis(4-fluorophenyl)pyrimidine-2-carboxamide
PubChem CID86302989
Molecular FormulaC30H30F2N4O3
Molecular Weight532.59 g/mol
Exact Mass532.23
IUPAC NameN-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-4,6-bis(4-fluorophenyl)pyrimidine-2-carboxamide
SMILESCCN(CC)CCOc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)cc(-c3ccc(F)cc3)n2)cc1OC
InChIInChI=1S/C30H30F2N4O3/c1-4-36(5-2)16-17-39-27-15-14-24(18-28(27)38-3)33-30(37)29-34-25(20-6-10-22(31)11-7-20)19-26(35-29)21-8-12-23(32)13-9-21/h6-15,18-19H,4-5,16-17H2,1-3H3,(H,33,37)
InChIKeyANZUHYNBGSXOON-UHFFFAOYSA-N
XLogP6.07
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.59
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[2-(diethylamino)ethoxy]-2-methoxyphenyl]-4,6-bis(4-fluorophenyl)pyrimidine-2-carboxamide
CID 86305044
N-[3-[2-(diethylamino)ethoxy]-5-methoxyphenyl]-4,6-bis(4-fluorophenyl)pyrimidine-2-carboxamide
CID 86302829
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-phenylbenzamide
CID 56988348
1-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 60612179
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]thiophene-2-carboxamide
CID 22459278
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(methylamino)acetamide
CID 119865025
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 60610195
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperidine-4-carboxamide
CID 119865015
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]piperidine-4-carboxamide;dihydrochloride
CID 119865014
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 47089567
2-(4-fluorophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55624281
(2S)-2-amino-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119865034

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-4,6-bis(4-fluorophenyl)pyrimidine-2-carboxamide?
The IUPAC name of N-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-4,6-bis(4-fluorophenyl)pyrimidine-2-carboxamide (CID 86302989) is N-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-4,6-bis(4-fluorophenyl)pyrimidine-2-carboxamide.
What is the SMILES notation for N-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-4,6-bis(4-fluorophenyl)pyrimidine-2-carboxamide?
The canonical SMILES for N-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-4,6-bis(4-fluorophenyl)pyrimidine-2-carboxamide is CCN(CC)CCOc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)cc(-c3ccc(F)cc3)n2)cc1OC.
What is the InChIKey of N-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-4,6-bis(4-fluorophenyl)pyrimidine-2-carboxamide?
The InChIKey is ANZUHYNBGSXOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F2N4O3/c1-4-36(5-2)16-17-39-27-15-14-24(18-28(27)38-3)33-30(37)29-34-25(20-6-10-22(31)11-7-20)19-26(35-29)21-8-12-23(32)13-9-21/h6-15,18-19H,4-5,16-17H2,1-3H3,(H,33,37).
What are the key properties of N-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-4,6-bis(4-fluorophenyl)pyrimidine-2-carboxamide?
N-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-4,6-bis(4-fluorophenyl)pyrimidine-2-carboxamide has a molecular weight of 532.59 g/mol, XLogP of 6.07, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-4,6-bis(4-fluorophenyl)pyrimidine-2-carboxamide is sourced from PubChem (CID 86302989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).