2-butyl-3,4,4,6-tetramethyl-1,2-dihydropyrimidine

C12H24N2 — CID 70456267

IUPAC2-butyl-3,4,4,6-tetramethyl-1,2-dihydropyrimidine
SMILESCCCCC1NC(C)=CC(C)(C)N1C
InChIInChI=1S/C12H24N2/c1-6-7-8-11-13-10(2)9-12(3,4)14(11)5/h9,11,13H,6-8H2,1-5H3
InChIKeyNLVNTKKTLDDJSD-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.72
Rot. Bonds3

About 2-butyl-3,4,4,6-tetramethyl-1,2-dihydropyrimidine

2-butyl-3,4,4,6-tetramethyl-1,2-dihydropyrimidine (PubChem CID 70456267) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 2-butyl-3,4,4,6-tetramethyl-1,2-dihydropyrimidine.

Molecular Properties

Compound Name2-butyl-3,4,4,6-tetramethyl-1,2-dihydropyrimidine
PubChem CID70456267
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name2-butyl-3,4,4,6-tetramethyl-1,2-dihydropyrimidine
SMILESCCCCC1NC(C)=CC(C)(C)N1C
InChIInChI=1S/C12H24N2/c1-6-7-8-11-13-10(2)9-12(3,4)14(11)5/h9,11,13H,6-8H2,1-5H3
InChIKeyNLVNTKKTLDDJSD-UHFFFAOYSA-N
XLogP2.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3,4,4,6-tetramethyl-1,2-dihydropyrimidine?
The IUPAC name of 2-butyl-3,4,4,6-tetramethyl-1,2-dihydropyrimidine (CID 70456267) is 2-butyl-3,4,4,6-tetramethyl-1,2-dihydropyrimidine.
What is the SMILES notation for 2-butyl-3,4,4,6-tetramethyl-1,2-dihydropyrimidine?
The canonical SMILES for 2-butyl-3,4,4,6-tetramethyl-1,2-dihydropyrimidine is CCCCC1NC(C)=CC(C)(C)N1C.
What is the InChIKey of 2-butyl-3,4,4,6-tetramethyl-1,2-dihydropyrimidine?
The InChIKey is NLVNTKKTLDDJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-6-7-8-11-13-10(2)9-12(3,4)14(11)5/h9,11,13H,6-8H2,1-5H3.
What are the key properties of 2-butyl-3,4,4,6-tetramethyl-1,2-dihydropyrimidine?
2-butyl-3,4,4,6-tetramethyl-1,2-dihydropyrimidine has a molecular weight of 196.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3,4,4,6-tetramethyl-1,2-dihydropyrimidine is sourced from PubChem (CID 70456267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).