1,3-diethyl-2-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]guanidine

C15H26N6 — CID 86781884

IUPAC1,3-diethyl-2-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]guanidine
SMILESCCNC(=NCC1CCCN(c2ncccn2)C1)NCC
InChIInChI=1S/C15H26N6/c1-3-16-14(17-4-2)20-11-13-7-5-10-21(12-13)15-18-8-6-9-19-15/h6,8-9,13H,3-5,7,10-12H2,1-2H3,(H2,16,17,20)
InChIKeyGOUGFMKNEVWAFF-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.27
Rot. Bonds5

About 1,3-diethyl-2-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]guanidine

1,3-diethyl-2-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]guanidine (PubChem CID 86781884) has the molecular formula C15H26N6 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1,3-diethyl-2-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1,3-diethyl-2-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]guanidine
PubChem CID86781884
Molecular FormulaC15H26N6
Molecular Weight290.41 g/mol
Exact Mass290.22
IUPAC Name1,3-diethyl-2-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]guanidine
SMILESCCNC(=NCC1CCCN(c2ncccn2)C1)NCC
InChIInChI=1S/C15H26N6/c1-3-16-14(17-4-2)20-11-13-7-5-10-21(12-13)15-18-8-6-9-19-15/h6,8-9,13H,3-5,7,10-12H2,1-2H3,(H2,16,17,20)
InChIKeyGOUGFMKNEVWAFF-UHFFFAOYSA-N
XLogP1.27
TPSA65.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylmethyl)-1-ethyl-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine
CID 111868396
1,2-dimethyl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]guanidine
CID 86814436
1,2-dimethyl-3-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]guanidine
CID 97160556
N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111205702
1-ethyl-3-(2-pyridin-2-ylethyl)-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine
CID 111193236
1-ethyl-2-[(1-methylpiperidin-3-yl)methyl]-3-(2-phenoxyethyl)guanidine
CID 111759897
1-cyclopentyl-3-ethyl-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
CID 110991739
N'-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-N-ethyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111207990
2-(1-pyrimidin-2-ylpiperidin-3-yl)acetic acid
CID 62690962
1-ethyl-2-[(1-methylpiperidin-3-yl)methyl]-3-propylguanidine;hydroiodide
CID 111763460
2-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-1,3-diethylguanidine
CID 110926517
2-[3-(2-bromoethyl)piperidin-1-yl]pyrimidine
CID 80679402

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]guanidine?
The IUPAC name of 1,3-diethyl-2-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]guanidine (CID 86781884) is 1,3-diethyl-2-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]guanidine.
What is the SMILES notation for 1,3-diethyl-2-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]guanidine?
The canonical SMILES for 1,3-diethyl-2-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]guanidine is CCNC(=NCC1CCCN(c2ncccn2)C1)NCC.
What is the InChIKey of 1,3-diethyl-2-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]guanidine?
The InChIKey is GOUGFMKNEVWAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6/c1-3-16-14(17-4-2)20-11-13-7-5-10-21(12-13)15-18-8-6-9-19-15/h6,8-9,13H,3-5,7,10-12H2,1-2H3,(H2,16,17,20).
What are the key properties of 1,3-diethyl-2-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]guanidine?
1,3-diethyl-2-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]guanidine has a molecular weight of 290.41 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]guanidine is sourced from PubChem (CID 86781884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).