2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-(methylamino)pyrimidine-5-carbonitrile

C18H20N6O3 — CID 54754832

IUPAC2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-(methylamino)pyrimidine-5-carbonitrile
SMILESCNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)ncc1C#N
InChIInChI=1S/C18H20N6O3/c1-20-16-13(10-19)11-21-18(23-16)22-14-4-3-12(9-15(14)26-2)17(25)24-5-7-27-8-6-24/h3-4,9,11H,5-8H2,1-2H3,(H2,20,21,22,23)
InChIKeyLYEWAGXEEPXHOF-UHFFFAOYSA-N
MW368.40 g/mol
LogP1.61
Rot. Bonds5

About 2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-(methylamino)pyrimidine-5-carbonitrile

2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-(methylamino)pyrimidine-5-carbonitrile (PubChem CID 54754832) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is 2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-(methylamino)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-(methylamino)pyrimidine-5-carbonitrile
PubChem CID54754832
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC Name2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-(methylamino)pyrimidine-5-carbonitrile
SMILESCNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)ncc1C#N
InChIInChI=1S/C18H20N6O3/c1-20-16-13(10-19)11-21-18(23-16)22-14-4-3-12(9-15(14)26-2)17(25)24-5-7-27-8-6-24/h3-4,9,11H,5-8H2,1-2H3,(H2,20,21,22,23)
InChIKeyLYEWAGXEEPXHOF-UHFFFAOYSA-N
XLogP1.61
TPSA112.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-(methylamino)pyrimidine-5-carbonitrile?
The IUPAC name of 2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-(methylamino)pyrimidine-5-carbonitrile (CID 54754832) is 2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-(methylamino)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-(methylamino)pyrimidine-5-carbonitrile?
The canonical SMILES for 2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-(methylamino)pyrimidine-5-carbonitrile is CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)ncc1C#N.
What is the InChIKey of 2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-(methylamino)pyrimidine-5-carbonitrile?
The InChIKey is LYEWAGXEEPXHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-20-16-13(10-19)11-21-18(23-16)22-14-4-3-12(9-15(14)26-2)17(25)24-5-7-27-8-6-24/h3-4,9,11H,5-8H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-(methylamino)pyrimidine-5-carbonitrile?
2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-(methylamino)pyrimidine-5-carbonitrile has a molecular weight of 368.40 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-(methylamino)pyrimidine-5-carbonitrile is sourced from PubChem (CID 54754832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).