1-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-(methylamino)pyrimidin-5-yl]ethanone

C19H23N5O4 — CID 58539161

IUPAC1-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-(methylamino)pyrimidin-5-yl]ethanone
SMILESCNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)ncc1C(C)=O
InChIInChI=1S/C19H23N5O4/c1-12(25)14-11-21-19(23-17(14)20-2)22-15-5-4-13(10-16(15)27-3)18(26)24-6-8-28-9-7-24/h4-5,10-11H,6-9H2,1-3H3,(H2,20,21,22,23)
InChIKeyKTEHPPYOVCQMSX-UHFFFAOYSA-N
MW385.42 g/mol
LogP1.95
Rot. Bonds6

About 1-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-(methylamino)pyrimidin-5-yl]ethanone

1-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-(methylamino)pyrimidin-5-yl]ethanone (PubChem CID 58539161) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is 1-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-(methylamino)pyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-(methylamino)pyrimidin-5-yl]ethanone
PubChem CID58539161
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC Name1-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-(methylamino)pyrimidin-5-yl]ethanone
SMILESCNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)ncc1C(C)=O
InChIInChI=1S/C19H23N5O4/c1-12(25)14-11-21-19(23-17(14)20-2)22-15-5-4-13(10-16(15)27-3)18(26)24-6-8-28-9-7-24/h4-5,10-11H,6-9H2,1-3H3,(H2,20,21,22,23)
InChIKeyKTEHPPYOVCQMSX-UHFFFAOYSA-N
XLogP1.95
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-(methylamino)pyrimidin-5-yl]ethanone?
The IUPAC name of 1-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-(methylamino)pyrimidin-5-yl]ethanone (CID 58539161) is 1-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-(methylamino)pyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-(methylamino)pyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-(methylamino)pyrimidin-5-yl]ethanone is CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)ncc1C(C)=O.
What is the InChIKey of 1-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-(methylamino)pyrimidin-5-yl]ethanone?
The InChIKey is KTEHPPYOVCQMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4/c1-12(25)14-11-21-19(23-17(14)20-2)22-15-5-4-13(10-16(15)27-3)18(26)24-6-8-28-9-7-24/h4-5,10-11H,6-9H2,1-3H3,(H2,20,21,22,23).
What are the key properties of 1-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-(methylamino)pyrimidin-5-yl]ethanone?
1-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-(methylamino)pyrimidin-5-yl]ethanone has a molecular weight of 385.42 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-(methylamino)pyrimidin-5-yl]ethanone is sourced from PubChem (CID 58539161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).