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

C10H20N2 — CID 135302017

IUPAC2-butyl-1-ethyl-5,6-dihydro-4H-pyrimidine
SMILESCCCCC1=NCCCN1CC
InChIInChI=1S/C10H20N2/c1-3-5-7-10-11-8-6-9-12(10)4-2/h3-9H2,1-2H3
InChIKeyNMYKOQGAEFDQBB-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.30
Rot. Bonds4

About 2-butyl-1-ethyl-5,6-dihydro-4H-pyrimidine

2-butyl-1-ethyl-5,6-dihydro-4H-pyrimidine (PubChem CID 135302017) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-butyl-1-ethyl-5,6-dihydro-4H-pyrimidine.

Molecular Properties

Compound Name2-butyl-1-ethyl-5,6-dihydro-4H-pyrimidine
PubChem CID135302017
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2-butyl-1-ethyl-5,6-dihydro-4H-pyrimidine
SMILESCCCCC1=NCCCN1CC
InChIInChI=1S/C10H20N2/c1-3-5-7-10-11-8-6-9-12(10)4-2/h3-9H2,1-2H3
InChIKeyNMYKOQGAEFDQBB-UHFFFAOYSA-N
XLogP2.30
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-butyl-1-ethyl-4,5-dihydroimidazole
CID 139748903
1-ethyl-2-propyl-5,6-dihydro-4H-pyrimidine
CID 66631509
2-butyl-1-methyl-5,6-dihydro-4H-pyrimidine;1-ethyl-2-octyl-5,6-dihydro-4H-pyrimidine;1-methyl-2-octyl-5,6-dihydro-4H-pyrimidine;1,2,4-trimethyl-5,6-dihydro-4H-pyrimidine
CID 157479984
(2-pentyl-4,5-dihydroimidazol-1-yl)methanamine
CID 69018271
1-pentyl-2-undecyl-4,5-dihydroimidazole
CID 67928425
2-(2-docosyl-4,5-dihydroimidazol-1-yl)ethanol
CID 67140518
2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethanol;hydrobromide
CID 122612770
ethanol;2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol
CID 158671442
CID 90309566
CID 90309566
2-ethyl-1-oxido-5,6-dihydro-4H-pyrimidine
CID 88720434
2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)acetic acid
CID 57142783
1-(2-hexadecylsulfanylethyl)-2-tetradecyl-4,5-dihydroimidazole
CID 139774139

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-ethyl-5,6-dihydro-4H-pyrimidine?
The IUPAC name of 2-butyl-1-ethyl-5,6-dihydro-4H-pyrimidine (CID 135302017) is 2-butyl-1-ethyl-5,6-dihydro-4H-pyrimidine.
What is the SMILES notation for 2-butyl-1-ethyl-5,6-dihydro-4H-pyrimidine?
The canonical SMILES for 2-butyl-1-ethyl-5,6-dihydro-4H-pyrimidine is CCCCC1=NCCCN1CC.
What is the InChIKey of 2-butyl-1-ethyl-5,6-dihydro-4H-pyrimidine?
The InChIKey is NMYKOQGAEFDQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-5-7-10-11-8-6-9-12(10)4-2/h3-9H2,1-2H3.
What are the key properties of 2-butyl-1-ethyl-5,6-dihydro-4H-pyrimidine?
2-butyl-1-ethyl-5,6-dihydro-4H-pyrimidine has a molecular weight of 168.28 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-ethyl-5,6-dihydro-4H-pyrimidine is sourced from PubChem (CID 135302017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).