5-(2-anilino-4-morpholin-4-ylpyrimidin-5-yl)pyridine-3-carboxylic acid;ethane

C22H25N5O3 — CID 91285437

IUPAC5-(2-anilino-4-morpholin-4-ylpyrimidin-5-yl)pyridine-3-carboxylic acid;ethane
SMILESCC.O=C(O)c1cncc(-c2cnc(Nc3ccccc3)nc2N2CCOCC2)c1
InChIInChI=1S/C20H19N5O3.C2H6/c26-19(27)15-10-14(11-21-12-15)17-13-22-20(23-16-4-2-1-3-5-16)24-18(17)25-6-8-28-9-7-25;1-2/h1-5,10-13H,6-9H2,(H,26,27)(H,22,23,24);1-2H3
InChIKeyOAKYSCXBQJRBBC-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.84
Rot. Bonds5

About 5-(2-anilino-4-morpholin-4-ylpyrimidin-5-yl)pyridine-3-carboxylic acid;ethane

5-(2-anilino-4-morpholin-4-ylpyrimidin-5-yl)pyridine-3-carboxylic acid;ethane (PubChem CID 91285437) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 5-(2-anilino-4-morpholin-4-ylpyrimidin-5-yl)pyridine-3-carboxylic acid;ethane.

Molecular Properties

Compound Name5-(2-anilino-4-morpholin-4-ylpyrimidin-5-yl)pyridine-3-carboxylic acid;ethane
PubChem CID91285437
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name5-(2-anilino-4-morpholin-4-ylpyrimidin-5-yl)pyridine-3-carboxylic acid;ethane
SMILESCC.O=C(O)c1cncc(-c2cnc(Nc3ccccc3)nc2N2CCOCC2)c1
InChIInChI=1S/C20H19N5O3.C2H6/c26-19(27)15-10-14(11-21-12-15)17-13-22-20(23-16-4-2-1-3-5-16)24-18(17)25-6-8-28-9-7-25;1-2/h1-5,10-13H,6-9H2,(H,26,27)(H,22,23,24);1-2H3
InChIKeyOAKYSCXBQJRBBC-UHFFFAOYSA-N
XLogP3.84
TPSA100.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-(3-bromo-4-fluoroanilino)-4-morpholin-4-ylpyrimidin-5-yl]pyridine-3-carboxylic acid
CID 59353416
5-[2-(3-chloro-5-cyanoanilino)-4-morpholin-4-ylpyrimidin-5-yl]pyridine-3-carboxylic acid
CID 59353749
ethyl 5-[2-(3-chloro-4-fluoroanilino)-4-morpholin-4-ylpyrimidin-5-yl]pyridine-3-carboxylate
CID 59353235
(E)-3-[3-[2-(3-methoxyanilino)-4-morpholin-4-ylpyrimidin-5-yl]phenyl]prop-2-enoic acid
CID 59354604
5-bromo-N-(4-fluoro-3-nitrophenyl)-4-morpholin-4-ylpyrimidin-2-amine;ethyl 5-[2-(4-fluoro-3-nitroanilino)-4-morpholin-4-ylpyrimidin-5-yl]pyridine-3-carboxylate
CID 159800455
3-[3-[2-(3,5-dimethylanilino)-4-morpholin-4-ylpyrimidin-5-yl]phenyl]prop-2-enoic acid
CID 68646932
ethyl 5-[2-(3-chloro-4-fluoroanilino)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-5-yl]pyridine-3-carboxylate
CID 45274098
5-[2-(3-acetylanilino)-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]pyridine-3-carboxylic acid
CID 59353743
5-[2-(3-chloro-4-fluoroanilino)-4-(2,5-dimethylpyrrolidin-1-yl)pyrimidin-5-yl]pyridine-3-carboxylic acid
CID 59354582
4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid
CID 4767474
5-[2-(3-carbamoylanilino)-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]pyridine-3-carboxylic acid
CID 59354199
3-[3-[2-(3-cyano-4-fluoroanilino)-4-morpholin-4-ylpyrimidin-5-yl]phenyl]prop-2-enoic acid
CID 68641737

Frequently Asked Questions

What is the IUPAC name of 5-(2-anilino-4-morpholin-4-ylpyrimidin-5-yl)pyridine-3-carboxylic acid;ethane?
The IUPAC name of 5-(2-anilino-4-morpholin-4-ylpyrimidin-5-yl)pyridine-3-carboxylic acid;ethane (CID 91285437) is 5-(2-anilino-4-morpholin-4-ylpyrimidin-5-yl)pyridine-3-carboxylic acid;ethane.
What is the SMILES notation for 5-(2-anilino-4-morpholin-4-ylpyrimidin-5-yl)pyridine-3-carboxylic acid;ethane?
The canonical SMILES for 5-(2-anilino-4-morpholin-4-ylpyrimidin-5-yl)pyridine-3-carboxylic acid;ethane is CC.O=C(O)c1cncc(-c2cnc(Nc3ccccc3)nc2N2CCOCC2)c1.
What is the InChIKey of 5-(2-anilino-4-morpholin-4-ylpyrimidin-5-yl)pyridine-3-carboxylic acid;ethane?
The InChIKey is OAKYSCXBQJRBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3.C2H6/c26-19(27)15-10-14(11-21-12-15)17-13-22-20(23-16-4-2-1-3-5-16)24-18(17)25-6-8-28-9-7-25;1-2/h1-5,10-13H,6-9H2,(H,26,27)(H,22,23,24);1-2H3.
What are the key properties of 5-(2-anilino-4-morpholin-4-ylpyrimidin-5-yl)pyridine-3-carboxylic acid;ethane?
5-(2-anilino-4-morpholin-4-ylpyrimidin-5-yl)pyridine-3-carboxylic acid;ethane has a molecular weight of 407.47 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-anilino-4-morpholin-4-ylpyrimidin-5-yl)pyridine-3-carboxylic acid;ethane is sourced from PubChem (CID 91285437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).