ethyl 4-[4-(cyclopropanecarbonylamino)phenyl]-2-morpholin-4-ylpyrimidine-5-carboxylate

C21H24N4O4 — CID 172879836

IUPACethyl 4-[4-(cyclopropanecarbonylamino)phenyl]-2-morpholin-4-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N2CCOCC2)nc1-c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C21H24N4O4/c1-2-29-20(27)17-13-22-21(25-9-11-28-12-10-25)24-18(17)14-5-7-16(8-6-14)23-19(26)15-3-4-15/h5-8,13,15H,2-4,9-12H2,1H3,(H,23,26)
InChIKeyRCZAQQYXCSDWBP-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.51
Rot. Bonds6

About ethyl 4-[4-(cyclopropanecarbonylamino)phenyl]-2-morpholin-4-ylpyrimidine-5-carboxylate

ethyl 4-[4-(cyclopropanecarbonylamino)phenyl]-2-morpholin-4-ylpyrimidine-5-carboxylate (PubChem CID 172879836) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is ethyl 4-[4-(cyclopropanecarbonylamino)phenyl]-2-morpholin-4-ylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(cyclopropanecarbonylamino)phenyl]-2-morpholin-4-ylpyrimidine-5-carboxylate
PubChem CID172879836
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Nameethyl 4-[4-(cyclopropanecarbonylamino)phenyl]-2-morpholin-4-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N2CCOCC2)nc1-c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C21H24N4O4/c1-2-29-20(27)17-13-22-21(25-9-11-28-12-10-25)24-18(17)14-5-7-16(8-6-14)23-19(26)15-3-4-15/h5-8,13,15H,2-4,9-12H2,1H3,(H,23,26)
InChIKeyRCZAQQYXCSDWBP-UHFFFAOYSA-N
XLogP2.51
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(cyclopropanecarbonylamino)phenyl]-2-morpholin-4-ylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-[4-(cyclopropanecarbonylamino)phenyl]-2-morpholin-4-ylpyrimidine-5-carboxylate (CID 172879836) is ethyl 4-[4-(cyclopropanecarbonylamino)phenyl]-2-morpholin-4-ylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-[4-(cyclopropanecarbonylamino)phenyl]-2-morpholin-4-ylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-[4-(cyclopropanecarbonylamino)phenyl]-2-morpholin-4-ylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(N2CCOCC2)nc1-c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of ethyl 4-[4-(cyclopropanecarbonylamino)phenyl]-2-morpholin-4-ylpyrimidine-5-carboxylate?
The InChIKey is RCZAQQYXCSDWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-2-29-20(27)17-13-22-21(25-9-11-28-12-10-25)24-18(17)14-5-7-16(8-6-14)23-19(26)15-3-4-15/h5-8,13,15H,2-4,9-12H2,1H3,(H,23,26).
What are the key properties of ethyl 4-[4-(cyclopropanecarbonylamino)phenyl]-2-morpholin-4-ylpyrimidine-5-carboxylate?
ethyl 4-[4-(cyclopropanecarbonylamino)phenyl]-2-morpholin-4-ylpyrimidine-5-carboxylate has a molecular weight of 396.45 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(cyclopropanecarbonylamino)phenyl]-2-morpholin-4-ylpyrimidine-5-carboxylate is sourced from PubChem (CID 172879836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).