N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide

C17H28N6O2 — CID 94030354

IUPACN-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESC[C@@H]1CN(CCNC(=O)N2CCN(c3ncccn3)CC2)C[C@H](C)O1
InChIInChI=1S/C17H28N6O2/c1-14-12-21(13-15(2)25-14)7-6-20-17(24)23-10-8-22(9-11-23)16-18-4-3-5-19-16/h3-5,14-15H,6-13H2,1-2H3,(H,20,24)/t14-,15+
InChIKeyREGXZZXGWKGVFX-GASCZTMLSA-N
MW348.45 g/mol
LogP0.42
Rot. Bonds4

About N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide

N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide (PubChem CID 94030354) has the molecular formula C17H28N6O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
PubChem CID94030354
Molecular FormulaC17H28N6O2
Molecular Weight348.45 g/mol
Exact Mass348.23
IUPAC NameN-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESC[C@@H]1CN(CCNC(=O)N2CCN(c3ncccn3)CC2)C[C@H](C)O1
InChIInChI=1S/C17H28N6O2/c1-14-12-21(13-15(2)25-14)7-6-20-17(24)23-10-8-22(9-11-23)16-18-4-3-5-19-16/h3-5,14-15H,6-13H2,1-2H3,(H,20,24)/t14-,15+
InChIKeyREGXZZXGWKGVFX-GASCZTMLSA-N
XLogP0.42
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-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

N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 51114092
N-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 98718256
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 60569928
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111206039
N-[2-(3-ethoxycyclobutyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 136535276
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-methyl-2-pyridinyl)urea
CID 94054024
N-(oxan-4-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108912953
N-(2-phenoxyethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 18532694
N-[2-(2,6-dimethylphenoxy)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 112973312
N-[3-(4-methylphenyl)-3-oxopropyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108874684
(2S,6S)-2,6-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide
CID 95176272
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-methylpropanamide
CID 75800055

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide (CID 94030354) is N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide is C[C@@H]1CN(CCNC(=O)N2CCN(c3ncccn3)CC2)C[C@H](C)O1.
What is the InChIKey of N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The InChIKey is REGXZZXGWKGVFX-GASCZTMLSA-N. The full InChI is InChI=1S/C17H28N6O2/c1-14-12-21(13-15(2)25-14)7-6-20-17(24)23-10-8-22(9-11-23)16-18-4-3-5-19-16/h3-5,14-15H,6-13H2,1-2H3,(H,20,24)/t14-,15+.
What are the key properties of N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 94030354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).