azepan-1-yl-[4-(2,4-dimethylpyrimidine-5-carbonyl)morpholin-2-yl]methanone

C18H26N4O3 — CID 110246425

IUPACazepan-1-yl-[4-(2,4-dimethylpyrimidine-5-carbonyl)morpholin-2-yl]methanone
SMILESCc1ncc(C(=O)N2CCOC(C(=O)N3CCCCCC3)C2)c(C)n1
InChIInChI=1S/C18H26N4O3/c1-13-15(11-19-14(2)20-13)17(23)22-9-10-25-16(12-22)18(24)21-7-5-3-4-6-8-21/h11,16H,3-10,12H2,1-2H3
InChIKeyZNIRARDPDRIQLD-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.34
Rot. Bonds2

About azepan-1-yl-[4-(2,4-dimethylpyrimidine-5-carbonyl)morpholin-2-yl]methanone

azepan-1-yl-[4-(2,4-dimethylpyrimidine-5-carbonyl)morpholin-2-yl]methanone (PubChem CID 110246425) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is azepan-1-yl-[4-(2,4-dimethylpyrimidine-5-carbonyl)morpholin-2-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[4-(2,4-dimethylpyrimidine-5-carbonyl)morpholin-2-yl]methanone
PubChem CID110246425
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Nameazepan-1-yl-[4-(2,4-dimethylpyrimidine-5-carbonyl)morpholin-2-yl]methanone
SMILESCc1ncc(C(=O)N2CCOC(C(=O)N3CCCCCC3)C2)c(C)n1
InChIInChI=1S/C18H26N4O3/c1-13-15(11-19-14(2)20-13)17(23)22-9-10-25-16(12-22)18(24)21-7-5-3-4-6-8-21/h11,16H,3-10,12H2,1-2H3
InChIKeyZNIRARDPDRIQLD-UHFFFAOYSA-N
XLogP1.34
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[4-(2,4-dimethylpyrimidine-5-carbonyl)morpholin-2-yl]methanone?
The IUPAC name of azepan-1-yl-[4-(2,4-dimethylpyrimidine-5-carbonyl)morpholin-2-yl]methanone (CID 110246425) is azepan-1-yl-[4-(2,4-dimethylpyrimidine-5-carbonyl)morpholin-2-yl]methanone.
What is the SMILES notation for azepan-1-yl-[4-(2,4-dimethylpyrimidine-5-carbonyl)morpholin-2-yl]methanone?
The canonical SMILES for azepan-1-yl-[4-(2,4-dimethylpyrimidine-5-carbonyl)morpholin-2-yl]methanone is Cc1ncc(C(=O)N2CCOC(C(=O)N3CCCCCC3)C2)c(C)n1.
What is the InChIKey of azepan-1-yl-[4-(2,4-dimethylpyrimidine-5-carbonyl)morpholin-2-yl]methanone?
The InChIKey is ZNIRARDPDRIQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-13-15(11-19-14(2)20-13)17(23)22-9-10-25-16(12-22)18(24)21-7-5-3-4-6-8-21/h11,16H,3-10,12H2,1-2H3.
What are the key properties of azepan-1-yl-[4-(2,4-dimethylpyrimidine-5-carbonyl)morpholin-2-yl]methanone?
azepan-1-yl-[4-(2,4-dimethylpyrimidine-5-carbonyl)morpholin-2-yl]methanone has a molecular weight of 346.43 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[4-(2,4-dimethylpyrimidine-5-carbonyl)morpholin-2-yl]methanone is sourced from PubChem (CID 110246425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).