(2S)-N-[(1R)-1-cyclobutylethyl]-2-[2-(dimethylamino)pyrimidin-4-yl]morpholine-4-carboxamide

C17H27N5O2 — CID 129492360

IUPAC(2S)-N-[(1R)-1-cyclobutylethyl]-2-[2-(dimethylamino)pyrimidin-4-yl]morpholine-4-carboxamide
SMILESC[C@@H](NC(=O)N1CCO[C@H](c2ccnc(N(C)C)n2)C1)C1CCC1
InChIInChI=1S/C17H27N5O2/c1-12(13-5-4-6-13)19-17(23)22-9-10-24-15(11-22)14-7-8-18-16(20-14)21(2)3/h7-8,12-13,15H,4-6,9-11H2,1-3H3,(H,19,23)/t12-,15+/m1/s1
InChIKeySXZMZTKJPGCCNS-DOMZBBRYSA-N
MW333.44 g/mol
LogP1.81
Rot. Bonds4

About (2S)-N-[(1R)-1-cyclobutylethyl]-2-[2-(dimethylamino)pyrimidin-4-yl]morpholine-4-carboxamide

(2S)-N-[(1R)-1-cyclobutylethyl]-2-[2-(dimethylamino)pyrimidin-4-yl]morpholine-4-carboxamide (PubChem CID 129492360) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-cyclobutylethyl]-2-[2-(dimethylamino)pyrimidin-4-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-cyclobutylethyl]-2-[2-(dimethylamino)pyrimidin-4-yl]morpholine-4-carboxamide
PubChem CID129492360
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name(2S)-N-[(1R)-1-cyclobutylethyl]-2-[2-(dimethylamino)pyrimidin-4-yl]morpholine-4-carboxamide
SMILESC[C@@H](NC(=O)N1CCO[C@H](c2ccnc(N(C)C)n2)C1)C1CCC1
InChIInChI=1S/C17H27N5O2/c1-12(13-5-4-6-13)19-17(23)22-9-10-24-15(11-22)14-7-8-18-16(20-14)21(2)3/h7-8,12-13,15H,4-6,9-11H2,1-3H3,(H,19,23)/t12-,15+/m1/s1
InChIKeySXZMZTKJPGCCNS-DOMZBBRYSA-N
XLogP1.81
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[(1R)-1-cyclobutylethyl]-2-[2-(dimethylamino)pyrimidin-4-yl]morpholine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)morpholine-4-carboxamide
CID 129477542
1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]propan-1-one
CID 129479017
cyclohepten-1-yl-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
CID 128995208
(2S)-1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-2-thiophen-2-ylpropan-1-one
CID 129478869
[(1R,2S)-2-cyclopropylcyclopropyl]-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
CID 129341565
(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide
CID 129473669
(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(furan-2-ylmethyl)morpholine-4-carboxamide
CID 129478043
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1-ethylpiperidin-2-yl)methanone
CID 128964972
(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(2-pyrazol-1-ylethyl)morpholine-4-carboxamide
CID 129341058
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1H-pyrrol-3-yl)methanone
CID 128964952
1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholine-4-carbonyl]cyclohexane-1-carbonitrile
CID 129478741
[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
CID 129328387

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-cyclobutylethyl]-2-[2-(dimethylamino)pyrimidin-4-yl]morpholine-4-carboxamide?
The IUPAC name of (2S)-N-[(1R)-1-cyclobutylethyl]-2-[2-(dimethylamino)pyrimidin-4-yl]morpholine-4-carboxamide (CID 129492360) is (2S)-N-[(1R)-1-cyclobutylethyl]-2-[2-(dimethylamino)pyrimidin-4-yl]morpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-[(1R)-1-cyclobutylethyl]-2-[2-(dimethylamino)pyrimidin-4-yl]morpholine-4-carboxamide?
The canonical SMILES for (2S)-N-[(1R)-1-cyclobutylethyl]-2-[2-(dimethylamino)pyrimidin-4-yl]morpholine-4-carboxamide is C[C@@H](NC(=O)N1CCO[C@H](c2ccnc(N(C)C)n2)C1)C1CCC1.
What is the InChIKey of (2S)-N-[(1R)-1-cyclobutylethyl]-2-[2-(dimethylamino)pyrimidin-4-yl]morpholine-4-carboxamide?
The InChIKey is SXZMZTKJPGCCNS-DOMZBBRYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-12(13-5-4-6-13)19-17(23)22-9-10-24-15(11-22)14-7-8-18-16(20-14)21(2)3/h7-8,12-13,15H,4-6,9-11H2,1-3H3,(H,19,23)/t12-,15+/m1/s1.
What are the key properties of (2S)-N-[(1R)-1-cyclobutylethyl]-2-[2-(dimethylamino)pyrimidin-4-yl]morpholine-4-carboxamide?
(2S)-N-[(1R)-1-cyclobutylethyl]-2-[2-(dimethylamino)pyrimidin-4-yl]morpholine-4-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-cyclobutylethyl]-2-[2-(dimethylamino)pyrimidin-4-yl]morpholine-4-carboxamide is sourced from PubChem (CID 129492360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).