(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(2-pyrazol-1-ylethyl)morpholine-4-carboxamide

C16H23N7O2 — CID 129341058

IUPAC(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(2-pyrazol-1-ylethyl)morpholine-4-carboxamide
SMILESCN(C)c1nccc([C@H]2CN(C(=O)NCCn3cccn3)CCO2)n1
InChIInChI=1S/C16H23N7O2/c1-21(2)15-17-6-4-13(20-15)14-12-22(10-11-25-14)16(24)18-7-9-23-8-3-5-19-23/h3-6,8,14H,7,9-12H2,1-2H3,(H,18,24)/t14-/m1/s1
InChIKeyYGDNOIOGRWWSAX-CQSZACIVSA-N
MW345.41 g/mol
LogP0.52
Rot. Bonds5

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

(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(2-pyrazol-1-ylethyl)morpholine-4-carboxamide (PubChem CID 129341058) has the molecular formula C16H23N7O2 and a molecular weight of 345.41 g/mol. Its IUPAC name is (2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(2-pyrazol-1-ylethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(2-pyrazol-1-ylethyl)morpholine-4-carboxamide
PubChem CID129341058
Molecular FormulaC16H23N7O2
Molecular Weight345.41 g/mol
Exact Mass345.19
IUPAC Name(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(2-pyrazol-1-ylethyl)morpholine-4-carboxamide
SMILESCN(C)c1nccc([C@H]2CN(C(=O)NCCn3cccn3)CCO2)n1
InChIInChI=1S/C16H23N7O2/c1-21(2)15-17-6-4-13(20-15)14-12-22(10-11-25-14)16(24)18-7-9-23-8-3-5-19-23/h3-6,8,14H,7,9-12H2,1-2H3,(H,18,24)/t14-/m1/s1
InChIKeyYGDNOIOGRWWSAX-CQSZACIVSA-N
XLogP0.52
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(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
1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]propan-1-one
CID 129479017
(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]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 128974121
(2S)-N-[(1R)-1-cyclobutylethyl]-2-[2-(dimethylamino)pyrimidin-4-yl]morpholine-4-carboxamide
CID 129492360
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1H-pyrrol-3-yl)methanone
CID 128964952
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-4-pyridinyl)methanone
CID 128971349
[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone
CID 129332793
[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone
CID 129478934
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1-ethylpiperidin-2-yl)methanone
CID 128964972
(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboxamide
CID 129331074

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(2-pyrazol-1-ylethyl)morpholine-4-carboxamide?
The IUPAC name of (2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(2-pyrazol-1-ylethyl)morpholine-4-carboxamide (CID 129341058) is (2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(2-pyrazol-1-ylethyl)morpholine-4-carboxamide.
What is the SMILES notation for (2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(2-pyrazol-1-ylethyl)morpholine-4-carboxamide?
The canonical SMILES for (2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(2-pyrazol-1-ylethyl)morpholine-4-carboxamide is CN(C)c1nccc([C@H]2CN(C(=O)NCCn3cccn3)CCO2)n1.
What is the InChIKey of (2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(2-pyrazol-1-ylethyl)morpholine-4-carboxamide?
The InChIKey is YGDNOIOGRWWSAX-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N7O2/c1-21(2)15-17-6-4-13(20-15)14-12-22(10-11-25-14)16(24)18-7-9-23-8-3-5-19-23/h3-6,8,14H,7,9-12H2,1-2H3,(H,18,24)/t14-/m1/s1.
What are the key properties of (2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(2-pyrazol-1-ylethyl)morpholine-4-carboxamide?
(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(2-pyrazol-1-ylethyl)morpholine-4-carboxamide has a molecular weight of 345.41 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(2-pyrazol-1-ylethyl)morpholine-4-carboxamide is sourced from PubChem (CID 129341058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).