1-ethyl-5,6-dihydro-4H-pyrimidine

C6H12N2 — CID 15260250

IUPAC1-ethyl-5,6-dihydro-4H-pyrimidine
SMILESCCN1C=NCCC1
InChIInChI=1S/C6H12N2/c1-2-8-5-3-4-7-6-8/h6H,2-5H2,1H3
InChIKeyQHIQCBMIJCALOI-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.74
Rot. Bonds1

About 1-ethyl-5,6-dihydro-4H-pyrimidine

1-ethyl-5,6-dihydro-4H-pyrimidine (PubChem CID 15260250) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 1-ethyl-5,6-dihydro-4H-pyrimidine.

Molecular Properties

Compound Name1-ethyl-5,6-dihydro-4H-pyrimidine
PubChem CID15260250
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name1-ethyl-5,6-dihydro-4H-pyrimidine
SMILESCCN1C=NCCC1
InChIInChI=1S/C6H12N2/c1-2-8-5-3-4-7-6-8/h6H,2-5H2,1H3
InChIKeyQHIQCBMIJCALOI-UHFFFAOYSA-N
XLogP0.74
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrimidine, 1,4,5,6-tetrahydro-1,2-dimethyl-
CID 77953
1-Methyl-1,4,5,6-tetrahydropyrimidine
CID 485083
2-chloro-1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium
CID 11389772
1,3-di(propan-2-yl)-5,6-dihydro-4H-pyrimidin-1-ium
CID 85970145
1,2,3-trimethyl-5,6-dihydro-4H-pyrimidin-1-ium
CID 499194
N-methyl-1,3-diazinane-2-selenone
CID 85838018
2-fluoro-1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium
CID 173510165
1,3-diethyl-5,6-dihydro-4H-pyrimidin-1-ium
CID 10869880
1-Ethyl-1,4,5,6-tetrahydro-2-methylpyrimidine
CID 12762324
N,N-diethyl-N'-methylmethanimidamide
CID 13042425
1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium
CID 15275160
1-ethyl-3-methyl-5,6-dihydro-4H-pyrimidin-3-ium
CID 15275170

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5,6-dihydro-4H-pyrimidine?
The IUPAC name of 1-ethyl-5,6-dihydro-4H-pyrimidine (CID 15260250) is 1-ethyl-5,6-dihydro-4H-pyrimidine.
What is the SMILES notation for 1-ethyl-5,6-dihydro-4H-pyrimidine?
The canonical SMILES for 1-ethyl-5,6-dihydro-4H-pyrimidine is CCN1C=NCCC1.
What is the InChIKey of 1-ethyl-5,6-dihydro-4H-pyrimidine?
The InChIKey is QHIQCBMIJCALOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-2-8-5-3-4-7-6-8/h6H,2-5H2,1H3.
What are the key properties of 1-ethyl-5,6-dihydro-4H-pyrimidine?
1-ethyl-5,6-dihydro-4H-pyrimidine has a molecular weight of 112.18 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5,6-dihydro-4H-pyrimidine is sourced from PubChem (CID 15260250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).