ethyl 4-(3-methoxyphenyl)-2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidine-5-carboxylate

C23H25N5O4 — CID 59789712

IUPACethyl 4-(3-methoxyphenyl)-2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(Nc2cccnc2)nc(N2CCOCC2)nc1-c1cccc(OC)c1
InChIInChI=1S/C23H25N5O4/c1-3-32-22(29)19-20(16-6-4-8-18(14-16)30-2)26-23(28-10-12-31-13-11-28)27-21(19)25-17-7-5-9-24-15-17/h4-9,14-15H,3,10-13H2,1-2H3,(H,25,26,27)
InChIKeyXWBORTHVKZZAMI-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.30
Rot. Bonds7

About ethyl 4-(3-methoxyphenyl)-2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidine-5-carboxylate

ethyl 4-(3-methoxyphenyl)-2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidine-5-carboxylate (PubChem CID 59789712) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is ethyl 4-(3-methoxyphenyl)-2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-methoxyphenyl)-2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidine-5-carboxylate
PubChem CID59789712
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Nameethyl 4-(3-methoxyphenyl)-2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(Nc2cccnc2)nc(N2CCOCC2)nc1-c1cccc(OC)c1
InChIInChI=1S/C23H25N5O4/c1-3-32-22(29)19-20(16-6-4-8-18(14-16)30-2)26-23(28-10-12-31-13-11-28)27-21(19)25-17-7-5-9-24-15-17/h4-9,14-15H,3,10-13H2,1-2H3,(H,25,26,27)
InChIKeyXWBORTHVKZZAMI-UHFFFAOYSA-N
XLogP3.30
TPSA98.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-methoxyphenyl)-2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(3-methoxyphenyl)-2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidine-5-carboxylate (CID 59789712) is ethyl 4-(3-methoxyphenyl)-2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(3-methoxyphenyl)-2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(3-methoxyphenyl)-2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidine-5-carboxylate is CCOC(=O)c1c(Nc2cccnc2)nc(N2CCOCC2)nc1-c1cccc(OC)c1.
What is the InChIKey of ethyl 4-(3-methoxyphenyl)-2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidine-5-carboxylate?
The InChIKey is XWBORTHVKZZAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-3-32-22(29)19-20(16-6-4-8-18(14-16)30-2)26-23(28-10-12-31-13-11-28)27-21(19)25-17-7-5-9-24-15-17/h4-9,14-15H,3,10-13H2,1-2H3,(H,25,26,27).
What are the key properties of ethyl 4-(3-methoxyphenyl)-2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidine-5-carboxylate?
ethyl 4-(3-methoxyphenyl)-2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidine-5-carboxylate has a molecular weight of 435.48 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-methoxyphenyl)-2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidine-5-carboxylate is sourced from PubChem (CID 59789712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).