6-ethyl-N-(3-fluoro-4-morpholin-4-ylphenyl)-2-pyridin-4-ylpyrimidin-4-amine

C21H22FN5O — CID 133294446

IUPAC6-ethyl-N-(3-fluoro-4-morpholin-4-ylphenyl)-2-pyridin-4-ylpyrimidin-4-amine
SMILESCCc1cc(Nc2ccc(N3CCOCC3)c(F)c2)nc(-c2ccncc2)n1
InChIInChI=1S/C21H22FN5O/c1-2-16-14-20(26-21(25-16)15-5-7-23-8-6-15)24-17-3-4-19(18(22)13-17)27-9-11-28-12-10-27/h3-8,13-14H,2,9-12H2,1H3,(H,24,25,26)
InChIKeyAVRMBJCYLGHOTA-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.82
Rot. Bonds5

About 6-ethyl-N-(3-fluoro-4-morpholin-4-ylphenyl)-2-pyridin-4-ylpyrimidin-4-amine

6-ethyl-N-(3-fluoro-4-morpholin-4-ylphenyl)-2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 133294446) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is 6-ethyl-N-(3-fluoro-4-morpholin-4-ylphenyl)-2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-(3-fluoro-4-morpholin-4-ylphenyl)-2-pyridin-4-ylpyrimidin-4-amine
PubChem CID133294446
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC Name6-ethyl-N-(3-fluoro-4-morpholin-4-ylphenyl)-2-pyridin-4-ylpyrimidin-4-amine
SMILESCCc1cc(Nc2ccc(N3CCOCC3)c(F)c2)nc(-c2ccncc2)n1
InChIInChI=1S/C21H22FN5O/c1-2-16-14-20(26-21(25-16)15-5-7-23-8-6-15)24-17-3-4-19(18(22)13-17)27-9-11-28-12-10-27/h3-8,13-14H,2,9-12H2,1H3,(H,24,25,26)
InChIKeyAVRMBJCYLGHOTA-UHFFFAOYSA-N
XLogP3.82
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-fluoro-4-morpholin-4-ylaniline
CID 123788462
N-(3-fluoro-4-morpholin-4-ylphenyl)propanamide
CID 144950070
1-morpholin-4-yl-2-[4-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanone
CID 167963906
ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide
CID 145422161
N-(2,2-dimethoxyethyl)-3-fluoro-4-morpholin-4-ylaniline
CID 66700439
5,6-diethyl-3-(3-fluoro-4-morpholin-4-ylanilino)pyridazine-4-carbonitrile
CID 133378832
6-ethyl-N-[1-(4-methylmorpholin-2-yl)ethyl]-2-pyridin-4-ylpyrimidin-4-amine
CID 133386488
3-fluoro-4-morpholin-4-yl-N-(oxiran-2-ylmethyl)aniline
CID 123224004
5-fluoro-N-(3-fluoro-4-morpholin-4-ylphenyl)-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine
CID 68687886
3-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 133345058
3-[4-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]phenoxy]-N-methylpropanamide
CID 133294785
[3-(3-fluoro-4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117445862

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-(3-fluoro-4-morpholin-4-ylphenyl)-2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-(3-fluoro-4-morpholin-4-ylphenyl)-2-pyridin-4-ylpyrimidin-4-amine (CID 133294446) is 6-ethyl-N-(3-fluoro-4-morpholin-4-ylphenyl)-2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-(3-fluoro-4-morpholin-4-ylphenyl)-2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-(3-fluoro-4-morpholin-4-ylphenyl)-2-pyridin-4-ylpyrimidin-4-amine is CCc1cc(Nc2ccc(N3CCOCC3)c(F)c2)nc(-c2ccncc2)n1.
What is the InChIKey of 6-ethyl-N-(3-fluoro-4-morpholin-4-ylphenyl)-2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is AVRMBJCYLGHOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O/c1-2-16-14-20(26-21(25-16)15-5-7-23-8-6-15)24-17-3-4-19(18(22)13-17)27-9-11-28-12-10-27/h3-8,13-14H,2,9-12H2,1H3,(H,24,25,26).
What are the key properties of 6-ethyl-N-(3-fluoro-4-morpholin-4-ylphenyl)-2-pyridin-4-ylpyrimidin-4-amine?
6-ethyl-N-(3-fluoro-4-morpholin-4-ylphenyl)-2-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 379.44 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-(3-fluoro-4-morpholin-4-ylphenyl)-2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 133294446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).