1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-3-[(2R,5R)-5-methyloxolan-2-yl]propan-1-one

C18H28N4O3 — CID 129478782

IUPAC1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-3-[(2R,5R)-5-methyloxolan-2-yl]propan-1-one
SMILESC[C@@H]1CC[C@H](CCC(=O)N2CCO[C@@H](c3ccnc(N(C)C)n3)C2)O1
InChIInChI=1S/C18H28N4O3/c1-13-4-5-14(25-13)6-7-17(23)22-10-11-24-16(12-22)15-8-9-19-18(20-15)21(2)3/h8-9,13-14,16H,4-7,10-12H2,1-3H3/t13-,14-,16-/m1/s1
InChIKeyMJRZSKKPSJFALB-IIAWOOMASA-N
MW348.45 g/mol
LogP1.79
Rot. Bonds5

About 1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-3-[(2R,5R)-5-methyloxolan-2-yl]propan-1-one

1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-3-[(2R,5R)-5-methyloxolan-2-yl]propan-1-one (PubChem CID 129478782) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-3-[(2R,5R)-5-methyloxolan-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-3-[(2R,5R)-5-methyloxolan-2-yl]propan-1-one
PubChem CID129478782
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-3-[(2R,5R)-5-methyloxolan-2-yl]propan-1-one
SMILESC[C@@H]1CC[C@H](CCC(=O)N2CCO[C@@H](c3ccnc(N(C)C)n3)C2)O1
InChIInChI=1S/C18H28N4O3/c1-13-4-5-14(25-13)6-7-17(23)22-10-11-24-16(12-22)15-8-9-19-18(20-15)21(2)3/h8-9,13-14,16H,4-7,10-12H2,1-3H3/t13-,14-,16-/m1/s1
InChIKeyMJRZSKKPSJFALB-IIAWOOMASA-N
XLogP1.79
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-3-[(2R,5R)-5-methyloxolan-2-yl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]propan-1-one
CID 129479017
[(1R,2S)-2-cyclopropylcyclopropyl]-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
CID 129341565
(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
(2S)-N-[(1R)-1-cyclobutylethyl]-2-[2-(dimethylamino)pyrimidin-4-yl]morpholine-4-carboxamide
CID 129492360
2-[(2S)-4-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 125153357
(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)morpholine-4-carboxamide
CID 129477542
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1H-pyrrol-3-yl)methanone
CID 128964952
(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide
CID 129473669
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-4-pyridinyl)methanone
CID 128971349
[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
CID 129328387
[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone
CID 129478934

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-3-[(2R,5R)-5-methyloxolan-2-yl]propan-1-one?
The IUPAC name of 1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-3-[(2R,5R)-5-methyloxolan-2-yl]propan-1-one (CID 129478782) is 1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-3-[(2R,5R)-5-methyloxolan-2-yl]propan-1-one.
What is the SMILES notation for 1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-3-[(2R,5R)-5-methyloxolan-2-yl]propan-1-one?
The canonical SMILES for 1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-3-[(2R,5R)-5-methyloxolan-2-yl]propan-1-one is C[C@@H]1CC[C@H](CCC(=O)N2CCO[C@@H](c3ccnc(N(C)C)n3)C2)O1.
What is the InChIKey of 1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-3-[(2R,5R)-5-methyloxolan-2-yl]propan-1-one?
The InChIKey is MJRZSKKPSJFALB-IIAWOOMASA-N. The full InChI is InChI=1S/C18H28N4O3/c1-13-4-5-14(25-13)6-7-17(23)22-10-11-24-16(12-22)15-8-9-19-18(20-15)21(2)3/h8-9,13-14,16H,4-7,10-12H2,1-3H3/t13-,14-,16-/m1/s1.
What are the key properties of 1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-3-[(2R,5R)-5-methyloxolan-2-yl]propan-1-one?
1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-3-[(2R,5R)-5-methyloxolan-2-yl]propan-1-one has a molecular weight of 348.45 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-3-[(2R,5R)-5-methyloxolan-2-yl]propan-1-one is sourced from PubChem (CID 129478782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).