[4-[(5-chloro-4-methoxypyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone

C17H19ClN4O4 — CID 54755789

IUPAC[4-[(5-chloro-4-methoxypyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone
SMILESCOc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc(Cl)c(OC)n1
InChIInChI=1S/C17H19ClN4O4/c1-24-14-9-11(16(23)22-5-7-26-8-6-22)3-4-13(14)20-17-19-10-12(18)15(21-17)25-2/h3-4,9-10H,5-8H2,1-2H3,(H,19,20,21)
InChIKeyGHGGWNFLWFGEOC-UHFFFAOYSA-N
MW378.82 g/mol
LogP2.36
Rot. Bonds5

About [4-[(5-chloro-4-methoxypyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone

[4-[(5-chloro-4-methoxypyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone (PubChem CID 54755789) has the molecular formula C17H19ClN4O4 and a molecular weight of 378.82 g/mol. Its IUPAC name is [4-[(5-chloro-4-methoxypyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(5-chloro-4-methoxypyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone
PubChem CID54755789
Molecular FormulaC17H19ClN4O4
Molecular Weight378.82 g/mol
Exact Mass378.11
IUPAC Name[4-[(5-chloro-4-methoxypyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone
SMILESCOc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc(Cl)c(OC)n1
InChIInChI=1S/C17H19ClN4O4/c1-24-14-9-11(16(23)22-5-7-26-8-6-22)3-4-13(14)20-17-19-10-12(18)15(21-17)25-2/h3-4,9-10H,5-8H2,1-2H3,(H,19,20,21)
InChIKeyGHGGWNFLWFGEOC-UHFFFAOYSA-N
XLogP2.36
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[(5-chloro-4-methoxypyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[(5-chloro-4-methoxypyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone (CID 54755789) is [4-[(5-chloro-4-methoxypyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[(5-chloro-4-methoxypyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[(5-chloro-4-methoxypyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone is COc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc(Cl)c(OC)n1.
What is the InChIKey of [4-[(5-chloro-4-methoxypyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone?
The InChIKey is GHGGWNFLWFGEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O4/c1-24-14-9-11(16(23)22-5-7-26-8-6-22)3-4-13(14)20-17-19-10-12(18)15(21-17)25-2/h3-4,9-10H,5-8H2,1-2H3,(H,19,20,21).
What are the key properties of [4-[(5-chloro-4-methoxypyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone?
[4-[(5-chloro-4-methoxypyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone has a molecular weight of 378.82 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-chloro-4-methoxypyrimidin-2-yl)amino]-3-methoxyphenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 54755789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).