(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(furan-2-ylmethyl)morpholine-4-carboxamide

C16H21N5O3 — CID 129478043

IUPAC(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(furan-2-ylmethyl)morpholine-4-carboxamide
SMILESCN(C)c1nccc([C@@H]2CN(C(=O)NCc3ccco3)CCO2)n1
InChIInChI=1S/C16H21N5O3/c1-20(2)15-17-6-5-13(19-15)14-11-21(7-9-24-14)16(22)18-10-12-4-3-8-23-12/h3-6,8,14H,7,9-11H2,1-2H3,(H,18,22)/t14-/m0/s1
InChIKeyMMQKLWIZAHWKJS-AWEZNQCLSA-N
MW331.38 g/mol
LogP1.42
Rot. Bonds4

About (2S)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(furan-2-ylmethyl)morpholine-4-carboxamide

(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(furan-2-ylmethyl)morpholine-4-carboxamide (PubChem CID 129478043) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is (2S)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(furan-2-ylmethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(furan-2-ylmethyl)morpholine-4-carboxamide
PubChem CID129478043
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(furan-2-ylmethyl)morpholine-4-carboxamide
SMILESCN(C)c1nccc([C@@H]2CN(C(=O)NCc3ccco3)CCO2)n1
InChIInChI=1S/C16H21N5O3/c1-20(2)15-17-6-5-13(19-15)14-11-21(7-9-24-14)16(22)18-10-12-4-3-8-23-12/h3-6,8,14H,7,9-11H2,1-2H3,(H,18,22)/t14-/m0/s1
InChIKeyMMQKLWIZAHWKJS-AWEZNQCLSA-N
XLogP1.42
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide
CID 129473669
(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(2-pyrazol-1-ylethyl)morpholine-4-carboxamide
CID 129341058
1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]propan-1-one
CID 129479017
[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone
CID 129332793
(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)morpholine-4-carboxamide
CID 129477542
(2S)-N-[(1R)-1-cyclobutylethyl]-2-[2-(dimethylamino)pyrimidin-4-yl]morpholine-4-carboxamide
CID 129492360
[(1R,2S)-2-cyclopropylcyclopropyl]-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
CID 129341565
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-4-pyridinyl)methanone
CID 128971349
1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-3-[(2R,5R)-5-methyloxolan-2-yl]propan-1-one
CID 129478782
(2S)-1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-2-thiophen-2-ylpropan-1-one
CID 129478869
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1H-pyrrol-3-yl)methanone
CID 128964952
(4-chloro-1H-pyrrol-2-yl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
CID 128971704

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(furan-2-ylmethyl)morpholine-4-carboxamide?
The IUPAC name of (2S)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(furan-2-ylmethyl)morpholine-4-carboxamide (CID 129478043) is (2S)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(furan-2-ylmethyl)morpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(furan-2-ylmethyl)morpholine-4-carboxamide?
The canonical SMILES for (2S)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(furan-2-ylmethyl)morpholine-4-carboxamide is CN(C)c1nccc([C@@H]2CN(C(=O)NCc3ccco3)CCO2)n1.
What is the InChIKey of (2S)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(furan-2-ylmethyl)morpholine-4-carboxamide?
The InChIKey is MMQKLWIZAHWKJS-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-20(2)15-17-6-5-13(19-15)14-11-21(7-9-24-14)16(22)18-10-12-4-3-8-23-12/h3-6,8,14H,7,9-11H2,1-2H3,(H,18,22)/t14-/m0/s1.
What are the key properties of (2S)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(furan-2-ylmethyl)morpholine-4-carboxamide?
(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(furan-2-ylmethyl)morpholine-4-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(furan-2-ylmethyl)morpholine-4-carboxamide is sourced from PubChem (CID 129478043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).