(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

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

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).