ethane;N-ethyl-4,4,6-trimethyl-1,3-dihydropyrimidin-2-imine

C11H23N3 — CID 167510563

IUPACethane;N-ethyl-4,4,6-trimethyl-1,3-dihydropyrimidin-2-imine
SMILESCC.CC/N=C1\NC(C)=CC(C)(C)N1
InChIInChI=1S/C9H17N3.C2H6/c1-5-10-8-11-7(2)6-9(3,4)12-8;1-2/h6H,5H2,1-4H3,(H2,10,11,12);1-2H3
InChIKeyFSJYEQIGAFMRAS-UHFFFAOYSA-N
MW197.33 g/mol
LogP2.26
Rot. Bonds1

About ethane;N-ethyl-4,4,6-trimethyl-1,3-dihydropyrimidin-2-imine

ethane;N-ethyl-4,4,6-trimethyl-1,3-dihydropyrimidin-2-imine (PubChem CID 167510563) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is ethane;N-ethyl-4,4,6-trimethyl-1,3-dihydropyrimidin-2-imine.

Molecular Properties

Compound Nameethane;N-ethyl-4,4,6-trimethyl-1,3-dihydropyrimidin-2-imine
PubChem CID167510563
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Nameethane;N-ethyl-4,4,6-trimethyl-1,3-dihydropyrimidin-2-imine
SMILESCC.CC/N=C1\NC(C)=CC(C)(C)N1
InChIInChI=1S/C9H17N3.C2H6/c1-5-10-8-11-7(2)6-9(3,4)12-8;1-2/h6H,5H2,1-4H3,(H2,10,11,12);1-2H3
InChIKeyFSJYEQIGAFMRAS-UHFFFAOYSA-N
XLogP2.26
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4,4,6-Trimethyl-1,4-dihydropyrimidin-2-yl)cyanamide
CID 667216
4,4,6-trimethyl-1H-pyrimidin-2-amine
CID 287218
4,6-Diisopropyl-4-methyl-3,4-dihydro-2(1H)-pyrimidinimin
CID 12265194
2-Pyrimidinamine, 1,6-dihydro-N,N,4,6,6-pentamethyl-
CID 157034
1,4,6,6-Tetramethylpyrimidin-2-amine
CID 336221
N-ethenyl-4,6-dimethyl-1,4-dihydropyrimidin-2-amine
CID 126694644
1-[(E)-hex-3-en-3-yl]-2-methylguanidine
CID 132238786
N,N,6,6-tetramethyl-2-prop-2-enylimino-1,3-dihydropyrimidin-4-amine
CID 137261963
2-ethyl-1-[(3E,5Z)-3-methylocta-3,5,7-trien-4-yl]guanidine
CID 142083489
N-methyl-1-[(3,4,6-trimethyl-1,4-dihydropyrimidin-2-ylidene)amino]methanamine
CID 146777793
1-ethyl-1-methyl-2-(2-methylprop-1-enyl)-3-[(E)-pent-2-en-2-yl]guanidine
CID 154981800
N,4,6-trimethyl-3,4-dihydro-1H-pyrimidin-2-imine
CID 163525402

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-4,4,6-trimethyl-1,3-dihydropyrimidin-2-imine?
The IUPAC name of ethane;N-ethyl-4,4,6-trimethyl-1,3-dihydropyrimidin-2-imine (CID 167510563) is ethane;N-ethyl-4,4,6-trimethyl-1,3-dihydropyrimidin-2-imine.
What is the SMILES notation for ethane;N-ethyl-4,4,6-trimethyl-1,3-dihydropyrimidin-2-imine?
The canonical SMILES for ethane;N-ethyl-4,4,6-trimethyl-1,3-dihydropyrimidin-2-imine is CC.CC/N=C1\NC(C)=CC(C)(C)N1.
What is the InChIKey of ethane;N-ethyl-4,4,6-trimethyl-1,3-dihydropyrimidin-2-imine?
The InChIKey is FSJYEQIGAFMRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3.C2H6/c1-5-10-8-11-7(2)6-9(3,4)12-8;1-2/h6H,5H2,1-4H3,(H2,10,11,12);1-2H3.
What are the key properties of ethane;N-ethyl-4,4,6-trimethyl-1,3-dihydropyrimidin-2-imine?
ethane;N-ethyl-4,4,6-trimethyl-1,3-dihydropyrimidin-2-imine has a molecular weight of 197.33 g/mol, XLogP of 2.26, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-4,4,6-trimethyl-1,3-dihydropyrimidin-2-imine is sourced from PubChem (CID 167510563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).