N-[2-(3-ethyl-2-iminoimidazolidin-1-yl)ethyl]-N,1-dimethyl-5,6-dihydro-4H-pyrimidin-2-amine

C13H26N6 — CID 129059249

IUPACN-[2-(3-ethyl-2-iminoimidazolidin-1-yl)ethyl]-N,1-dimethyl-5,6-dihydro-4H-pyrimidin-2-amine
SMILES[H]/N=C1\N(CC)CCN1CCN(C)C1=NCCCN1C
InChIInChI=1S/C13H26N6/c1-4-18-10-11-19(12(18)14)9-8-17(3)13-15-6-5-7-16(13)2/h14H,4-11H2,1-3H3/b14-12+
InChIKeyAHUWHYZIFKCXEZ-WYMLVPIESA-N
MW266.39 g/mol
LogP0.18
Rot. Bonds4

About N-[2-(3-ethyl-2-iminoimidazolidin-1-yl)ethyl]-N,1-dimethyl-5,6-dihydro-4H-pyrimidin-2-amine

N-[2-(3-ethyl-2-iminoimidazolidin-1-yl)ethyl]-N,1-dimethyl-5,6-dihydro-4H-pyrimidin-2-amine (PubChem CID 129059249) has the molecular formula C13H26N6 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-[2-(3-ethyl-2-iminoimidazolidin-1-yl)ethyl]-N,1-dimethyl-5,6-dihydro-4H-pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(3-ethyl-2-iminoimidazolidin-1-yl)ethyl]-N,1-dimethyl-5,6-dihydro-4H-pyrimidin-2-amine
PubChem CID129059249
Molecular FormulaC13H26N6
Molecular Weight266.39 g/mol
Exact Mass266.22
IUPAC NameN-[2-(3-ethyl-2-iminoimidazolidin-1-yl)ethyl]-N,1-dimethyl-5,6-dihydro-4H-pyrimidin-2-amine
SMILES[H]/N=C1\N(CC)CCN1CCN(C)C1=NCCCN1C
InChIInChI=1S/C13H26N6/c1-4-18-10-11-19(12(18)14)9-8-17(3)13-15-6-5-7-16(13)2/h14H,4-11H2,1-3H3/b14-12+
InChIKeyAHUWHYZIFKCXEZ-WYMLVPIESA-N
XLogP0.18
TPSA49.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,1-dimethyl-N-(3-methylbutan-2-yl)-5,6-dihydro-4H-pyrimidin-2-amine
CID 129051299
2-(2-imino-3-methylimidazolidin-1-yl)ethyl thiohypofluorite
CID 138502698
1-(2-methylbutyl)-3-propylimidazolidin-2-imine
CID 144911681
1,2-dimethyl-5,6-dihydro-4H-pyrimidine;dihydroiodide
CID 172820210
1-ethyl-2-propyl-5,6-dihydro-4H-pyrimidine
CID 66631509
3-(2-imino-3-methylimidazolidin-1-yl)propanoic acid
CID 123575070
1-methyl-5,6-dihydro-4H-pyrimidin-2-olate
CID 88533494
1-ethyl-N-methyl-N-(2-methylbutyl)-4,5-dihydroimidazol-2-amine
CID 167770929
2-butyl-1-ethyl-5,6-dihydro-4H-pyrimidine
CID 135302017
2-methyl-1-[2-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)ethyl]-5,6-dihydro-4H-pyrimidine
CID 86023388
N-methyl-N-[2-(3-methyl-2-oxoimidazolidin-1-yl)ethyl]acetamide
CID 123967088
N-[2-(2-iminopyrrolidin-1-yl)ethyl]-N-methylcyclopropanamine
CID 62978160

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethyl-2-iminoimidazolidin-1-yl)ethyl]-N,1-dimethyl-5,6-dihydro-4H-pyrimidin-2-amine?
The IUPAC name of N-[2-(3-ethyl-2-iminoimidazolidin-1-yl)ethyl]-N,1-dimethyl-5,6-dihydro-4H-pyrimidin-2-amine (CID 129059249) is N-[2-(3-ethyl-2-iminoimidazolidin-1-yl)ethyl]-N,1-dimethyl-5,6-dihydro-4H-pyrimidin-2-amine.
What is the SMILES notation for N-[2-(3-ethyl-2-iminoimidazolidin-1-yl)ethyl]-N,1-dimethyl-5,6-dihydro-4H-pyrimidin-2-amine?
The canonical SMILES for N-[2-(3-ethyl-2-iminoimidazolidin-1-yl)ethyl]-N,1-dimethyl-5,6-dihydro-4H-pyrimidin-2-amine is [H]/N=C1\N(CC)CCN1CCN(C)C1=NCCCN1C.
What is the InChIKey of N-[2-(3-ethyl-2-iminoimidazolidin-1-yl)ethyl]-N,1-dimethyl-5,6-dihydro-4H-pyrimidin-2-amine?
The InChIKey is AHUWHYZIFKCXEZ-WYMLVPIESA-N. The full InChI is InChI=1S/C13H26N6/c1-4-18-10-11-19(12(18)14)9-8-17(3)13-15-6-5-7-16(13)2/h14H,4-11H2,1-3H3/b14-12+.
What are the key properties of N-[2-(3-ethyl-2-iminoimidazolidin-1-yl)ethyl]-N,1-dimethyl-5,6-dihydro-4H-pyrimidin-2-amine?
N-[2-(3-ethyl-2-iminoimidazolidin-1-yl)ethyl]-N,1-dimethyl-5,6-dihydro-4H-pyrimidin-2-amine has a molecular weight of 266.39 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethyl-2-iminoimidazolidin-1-yl)ethyl]-N,1-dimethyl-5,6-dihydro-4H-pyrimidin-2-amine is sourced from PubChem (CID 129059249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).