3-dodecyl-2-methyl-2,6-dihydro-1H-pyrimidine

C17H34N2 — CID 21486754

IUPAC3-dodecyl-2-methyl-2,6-dihydro-1H-pyrimidine
SMILESCCCCCCCCCCCCN1C=CCNC1C
InChIInChI=1S/C17H34N2/c1-3-4-5-6-7-8-9-10-11-12-15-19-16-13-14-18-17(19)2/h13,16-18H,3-12,14-15H2,1-2H3
InChIKeyISQIVOCJRYGXEA-UHFFFAOYSA-N
MW266.47 g/mol
LogP4.67
Rot. Bonds11

About 3-dodecyl-2-methyl-2,6-dihydro-1H-pyrimidine

3-dodecyl-2-methyl-2,6-dihydro-1H-pyrimidine (PubChem CID 21486754) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 3-dodecyl-2-methyl-2,6-dihydro-1H-pyrimidine.

Molecular Properties

Compound Name3-dodecyl-2-methyl-2,6-dihydro-1H-pyrimidine
PubChem CID21486754
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name3-dodecyl-2-methyl-2,6-dihydro-1H-pyrimidine
SMILESCCCCCCCCCCCCN1C=CCNC1C
InChIInChI=1S/C17H34N2/c1-3-4-5-6-7-8-9-10-11-12-15-19-16-13-14-18-17(19)2/h13,16-18H,3-12,14-15H2,1-2H3
InChIKeyISQIVOCJRYGXEA-UHFFFAOYSA-N
XLogP4.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1,3-dioctyl-2H-imidazole
CID 21393912
2-methyl-1-nonadecyl-3-pentyl-2H-imidazole
CID 69387519
1-heptadecyl-2-methyl-3-tridecyl-2H-imidazole
CID 69393888
1,3-diheptyl-2-methyl-2H-imidazole
CID 69394446
1,3-didecyl-2-methyl-2H-imidazole
CID 3018046
1-hexyl-2-methyl-3-tetradecyl-2H-imidazole
CID 69392459
1-decyl-2-methyl-3-pentyl-2H-imidazole
CID 69391590
1-decyl-2-methyl-3-tridecyl-2H-imidazole
CID 69388587
1-butyl-2-methyl-3-nonyl-2H-imidazole
CID 69387396
1-butyl-2-methyl-3-tetradecyl-2H-imidazole
CID 69390686
1-ethyl-3-heptadecyl-2-methyl-2H-imidazole
CID 69396423
1-dodecyl-2,3-dimethyl-2H-imidazole
CID 68900702

Frequently Asked Questions

What is the IUPAC name of 3-dodecyl-2-methyl-2,6-dihydro-1H-pyrimidine?
The IUPAC name of 3-dodecyl-2-methyl-2,6-dihydro-1H-pyrimidine (CID 21486754) is 3-dodecyl-2-methyl-2,6-dihydro-1H-pyrimidine.
What is the SMILES notation for 3-dodecyl-2-methyl-2,6-dihydro-1H-pyrimidine?
The canonical SMILES for 3-dodecyl-2-methyl-2,6-dihydro-1H-pyrimidine is CCCCCCCCCCCCN1C=CCNC1C.
What is the InChIKey of 3-dodecyl-2-methyl-2,6-dihydro-1H-pyrimidine?
The InChIKey is ISQIVOCJRYGXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-3-4-5-6-7-8-9-10-11-12-15-19-16-13-14-18-17(19)2/h13,16-18H,3-12,14-15H2,1-2H3.
What are the key properties of 3-dodecyl-2-methyl-2,6-dihydro-1H-pyrimidine?
3-dodecyl-2-methyl-2,6-dihydro-1H-pyrimidine has a molecular weight of 266.47 g/mol, XLogP of 4.67, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecyl-2-methyl-2,6-dihydro-1H-pyrimidine is sourced from PubChem (CID 21486754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).