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

C43H86N8 — CID 157479984

IUPAC2-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
SMILESCC1=NC(C)CCN1C.CCCCC1=NCCCN1C.CCCCCCCCC1=NCCCN1C.CCCCCCCCC1=NCCCN1CC
InChIInChI=1S/C14H28N2.C13H26N2.C9H18N2.C7H14N2/c1-3-5-6-7-8-9-11-14-15-12-10-13-16(14)4-2;1-3-4-5-6-7-8-10-13-14-11-9-12-15(13)2;1-3-4-6-9-10-7-5-8-11(9)2;1-6-4-5-9(3)7(2)8-6/h3-13H2,1-2H3;3-12H2,1-2H3;3-8H2,1-2H3;6H,4-5H2,1-3H3
InChIKeyBWAXKKRVHFWYMQ-UHFFFAOYSA-N
MW715.22 g/mol
LogP10.37
Rot. Bonds18

About 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

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 (PubChem CID 157479984) has the molecular formula C43H86N8 and a molecular weight of 715.22 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID157479984
Molecular FormulaC43H86N8
Molecular Weight715.22 g/mol
Exact Mass714.70
IUPAC Name2-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
SMILESCC1=NC(C)CCN1C.CCCCC1=NCCCN1C.CCCCCCCCC1=NCCCN1C.CCCCCCCCC1=NCCCN1CC
InChIInChI=1S/C14H28N2.C13H26N2.C9H18N2.C7H14N2/c1-3-5-6-7-8-9-11-14-15-12-10-13-16(14)4-2;1-3-4-5-6-7-8-10-13-14-11-9-12-15(13)2;1-3-4-6-9-10-7-5-8-11(9)2;1-6-4-5-9(3)7(2)8-6/h3-13H2,1-2H3;3-12H2,1-2H3;3-8H2,1-2H3;6H,4-5H2,1-3H3
InChIKeyBWAXKKRVHFWYMQ-UHFFFAOYSA-N
XLogP10.37
TPSA62.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.22
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-butyl-1-ethyl-5,6-dihydro-4H-pyrimidine
CID 135302017
2-butyl-1-ethyl-4,5-dihydroimidazole
CID 139748903
1-ethyl-2-propyl-5,6-dihydro-4H-pyrimidine
CID 66631509
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-pentyl-4,5-dihydroimidazol-1-yl)methanamine
CID 69018271
1-(2-hexadecylsulfanylethyl)-2-tetradecyl-4,5-dihydroimidazole
CID 139774139
acetic acid;1-(2-octadecyl-4,5-dihydroimidazol-1-yl)icosan-3-one
CID 173436266
N,N,N',N'-tetrakis[[1-[(Z)-octadec-9-enyl]-5,6-dihydro-4H-pyrimidin-2-yl]methyl]ethane-1,2-diamine
CID 88782474

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1=NC(C)CCN1C.CCCCC1=NCCCN1C.CCCCCCCCC1=NCCCN1C.CCCCCCCCC1=NCCCN1CC.
What is the InChIKey of 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?
The InChIKey is BWAXKKRVHFWYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2.C13H26N2.C9H18N2.C7H14N2/c1-3-5-6-7-8-9-11-14-15-12-10-13-16(14)4-2;1-3-4-5-6-7-8-10-13-14-11-9-12-15(13)2;1-3-4-6-9-10-7-5-8-11(9)2;1-6-4-5-9(3)7(2)8-6/h3-13H2,1-2H3;3-12H2,1-2H3;3-8H2,1-2H3;6H,4-5H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 715.22 g/mol, XLogP of 10.37, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157479984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).