N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide

C21H31N7O2 — CID 111206684

IUPACN'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
SMILESC/N=C(\NCC(c1ccc(C)o1)N1CCOCC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C21H31N7O2/c1-17-4-5-19(30-17)18(26-12-14-29-15-13-26)16-25-20(22-2)27-8-10-28(11-9-27)21-23-6-3-7-24-21/h3-7,18H,8-16H2,1-2H3,(H,22,25)
InChIKeyZNBMUSPFRRDBGZ-UHFFFAOYSA-N
MW413.53 g/mol
LogP1.15
Rot. Bonds5

About N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide

N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide (PubChem CID 111206684) has the molecular formula C21H31N7O2 and a molecular weight of 413.53 g/mol. Its IUPAC name is N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
PubChem CID111206684
Molecular FormulaC21H31N7O2
Molecular Weight413.53 g/mol
Exact Mass413.25
IUPAC NameN'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
SMILESC/N=C(\NCC(c1ccc(C)o1)N1CCOCC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C21H31N7O2/c1-17-4-5-19(30-17)18(26-12-14-29-15-13-26)16-25-20(22-2)27-8-10-28(11-9-27)21-23-6-3-7-24-21/h3-7,18H,8-16H2,1-2H3,(H,22,25)
InChIKeyZNBMUSPFRRDBGZ-UHFFFAOYSA-N
XLogP1.15
TPSA82.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide with MolForge

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Related Compounds

N'-methyl-N-(2-morpholin-4-yl-2-phenylethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111207894
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111207552
4-ethoxy-N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide
CID 111958663
N',3-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide
CID 111143802
N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111728179
2-methyl-1-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111193018
N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111724076
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyridine-2-carboxamide
CID 51074519
1-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-pyridin-2-ylurea
CID 51083980
1-(2-ethylbutyl)-2-methyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111890832
N'-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111206615
N'-methyl-N-(4-morpholin-4-ylbutyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111206858

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The IUPAC name of N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide (CID 111206684) is N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The canonical SMILES for N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide is C/N=C(\NCC(c1ccc(C)o1)N1CCOCC1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
The InChIKey is ZNBMUSPFRRDBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N7O2/c1-17-4-5-19(30-17)18(26-12-14-29-15-13-26)16-25-20(22-2)27-8-10-28(11-9-27)21-23-6-3-7-24-21/h3-7,18H,8-16H2,1-2H3,(H,22,25).
What are the key properties of N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide?
N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide has a molecular weight of 413.53 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 111206684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).