cyclopenten-1-yl-[(3S)-3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone

C17H24N4O2 — CID 97484806

IUPACcyclopenten-1-yl-[(3S)-3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone
SMILESCCN(C)c1ccnc([C@H]2COCCN2C(=O)C2=CCCC2)n1
InChIInChI=1S/C17H24N4O2/c1-3-20(2)15-8-9-18-16(19-15)14-12-23-11-10-21(14)17(22)13-6-4-5-7-13/h6,8-9,14H,3-5,7,10-12H2,1-2H3/t14-/m1/s1
InChIKeyVYYHXRQUOAQEQK-CQSZACIVSA-N
MW316.41 g/mol
LogP1.94
Rot. Bonds4

About cyclopenten-1-yl-[(3S)-3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone

cyclopenten-1-yl-[(3S)-3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone (PubChem CID 97484806) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is cyclopenten-1-yl-[(3S)-3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone.

Molecular Properties

Compound Namecyclopenten-1-yl-[(3S)-3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone
PubChem CID97484806
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Namecyclopenten-1-yl-[(3S)-3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone
SMILESCCN(C)c1ccnc([C@H]2COCCN2C(=O)C2=CCCC2)n1
InChIInChI=1S/C17H24N4O2/c1-3-20(2)15-8-9-18-16(19-15)14-12-23-11-10-21(14)17(22)13-6-4-5-7-13/h6,8-9,14H,3-5,7,10-12H2,1-2H3/t14-/m1/s1
InChIKeyVYYHXRQUOAQEQK-CQSZACIVSA-N
XLogP1.94
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cyclopenten-1-yl-[(3S)-3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-[(3S)-3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone?
The IUPAC name of cyclopenten-1-yl-[(3S)-3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone (CID 97484806) is cyclopenten-1-yl-[(3S)-3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone.
What is the SMILES notation for cyclopenten-1-yl-[(3S)-3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone?
The canonical SMILES for cyclopenten-1-yl-[(3S)-3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone is CCN(C)c1ccnc([C@H]2COCCN2C(=O)C2=CCCC2)n1.
What is the InChIKey of cyclopenten-1-yl-[(3S)-3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone?
The InChIKey is VYYHXRQUOAQEQK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-3-20(2)15-8-9-18-16(19-15)14-12-23-11-10-21(14)17(22)13-6-4-5-7-13/h6,8-9,14H,3-5,7,10-12H2,1-2H3/t14-/m1/s1.
What are the key properties of cyclopenten-1-yl-[(3S)-3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone?
cyclopenten-1-yl-[(3S)-3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone has a molecular weight of 316.41 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-[(3S)-3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone is sourced from PubChem (CID 97484806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).