N'-(3-ethyl-2,6-dihydro-1H-pyrimidin-4-yl)-N,N-dimethylmethanimidamide

C9H18N4 — CID 141139039

IUPACN'-(3-ethyl-2,6-dihydro-1H-pyrimidin-4-yl)-N,N-dimethylmethanimidamide
SMILESCCN1CNCC=C1N=CN(C)C
InChIInChI=1S/C9H18N4/c1-4-13-7-10-6-5-9(13)11-8-12(2)3/h5,8,10H,4,6-7H2,1-3H3
InChIKeyXHWXBMAIKVJEFA-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.30
Rot. Bonds3

About N'-(3-ethyl-2,6-dihydro-1H-pyrimidin-4-yl)-N,N-dimethylmethanimidamide

N'-(3-ethyl-2,6-dihydro-1H-pyrimidin-4-yl)-N,N-dimethylmethanimidamide (PubChem CID 141139039) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is N'-(3-ethyl-2,6-dihydro-1H-pyrimidin-4-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(3-ethyl-2,6-dihydro-1H-pyrimidin-4-yl)-N,N-dimethylmethanimidamide
PubChem CID141139039
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC NameN'-(3-ethyl-2,6-dihydro-1H-pyrimidin-4-yl)-N,N-dimethylmethanimidamide
SMILESCCN1CNCC=C1N=CN(C)C
InChIInChI=1S/C9H18N4/c1-4-13-7-10-6-5-9(13)11-8-12(2)3/h5,8,10H,4,6-7H2,1-3H3
InChIKeyXHWXBMAIKVJEFA-UHFFFAOYSA-N
XLogP0.30
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1,3-diethyl-2-[[[(E)-1-(ethylamino)but-1-enyl]amino]methyl]guanidine
CID 59899803
N,4-dimethyl-N-propan-2-yl-1,4-dihydropyrimidin-6-amine
CID 90452825
N'-methyl-N-[(Z)-3-(methylamino)-1-[4-(methylamino)butylamino]prop-1-enyl]methanimidamide
CID 90453906
N-[(E)-1-(dimethylamino)-3-(methylamino)prop-1-enyl]-N'-methylmethanimidamide
CID 118972963
N-[1-[ethyl(methyl)amino]ethenyl]-N'-(methyliminomethyl)methanimidamide
CID 118972968
N'-methyl-N-[(E)-3-(methylamino)-1-(4-methylpiperazin-1-yl)prop-1-enyl]methanimidamide
CID 118973132
N-ethyl-1,4-dihydropyrimidin-6-amine
CID 118973305
N,N,2-trimethyl-6-prop-2-enylimino-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 135626028
3-hydroxy-6-N,6-N-dimethyl-2-propylimino-1,6-dihydropyrimidine-4,6-diamine
CID 136455874
4-N',6-N-dimethyl-2-methylimino-1,3-dihydropyrimidine-4,4,6-triamine
CID 137197668
N-methyl-1,4-dihydropyrimidin-6-amine
CID 146638483
1-(2-Aminopropan-2-yl)-3-[1-(dimethylamino)ethenyl]-2-prop-2-enylguanidine
CID 146868799

Frequently Asked Questions

What is the IUPAC name of N'-(3-ethyl-2,6-dihydro-1H-pyrimidin-4-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(3-ethyl-2,6-dihydro-1H-pyrimidin-4-yl)-N,N-dimethylmethanimidamide (CID 141139039) is N'-(3-ethyl-2,6-dihydro-1H-pyrimidin-4-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(3-ethyl-2,6-dihydro-1H-pyrimidin-4-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(3-ethyl-2,6-dihydro-1H-pyrimidin-4-yl)-N,N-dimethylmethanimidamide is CCN1CNCC=C1N=CN(C)C.
What is the InChIKey of N'-(3-ethyl-2,6-dihydro-1H-pyrimidin-4-yl)-N,N-dimethylmethanimidamide?
The InChIKey is XHWXBMAIKVJEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-4-13-7-10-6-5-9(13)11-8-12(2)3/h5,8,10H,4,6-7H2,1-3H3.
What are the key properties of N'-(3-ethyl-2,6-dihydro-1H-pyrimidin-4-yl)-N,N-dimethylmethanimidamide?
N'-(3-ethyl-2,6-dihydro-1H-pyrimidin-4-yl)-N,N-dimethylmethanimidamide has a molecular weight of 182.27 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethyl-2,6-dihydro-1H-pyrimidin-4-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 141139039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).