5-butyl-2,3-dimethyl-4H-pyrimidine

C10H18N2 — CID 142120666

IUPAC5-butyl-2,3-dimethyl-4H-pyrimidine
SMILESCCCCC1=CN=C(C)N(C)C1
InChIInChI=1S/C10H18N2/c1-4-5-6-10-7-11-9(2)12(3)8-10/h7H,4-6,8H2,1-3H3
InChIKeyIWPPAVRJKJVEJG-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.42
Rot. Bonds3

About 5-butyl-2,3-dimethyl-4H-pyrimidine

5-butyl-2,3-dimethyl-4H-pyrimidine (PubChem CID 142120666) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 5-butyl-2,3-dimethyl-4H-pyrimidine.

Molecular Properties

Compound Name5-butyl-2,3-dimethyl-4H-pyrimidine
PubChem CID142120666
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name5-butyl-2,3-dimethyl-4H-pyrimidine
SMILESCCCCC1=CN=C(C)N(C)C1
InChIInChI=1S/C10H18N2/c1-4-5-6-10-7-11-9(2)12(3)8-10/h7H,4-6,8H2,1-3H3
InChIKeyIWPPAVRJKJVEJG-UHFFFAOYSA-N
XLogP2.42
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2,3-dimethyl-4H-pyrimidine?
The IUPAC name of 5-butyl-2,3-dimethyl-4H-pyrimidine (CID 142120666) is 5-butyl-2,3-dimethyl-4H-pyrimidine.
What is the SMILES notation for 5-butyl-2,3-dimethyl-4H-pyrimidine?
The canonical SMILES for 5-butyl-2,3-dimethyl-4H-pyrimidine is CCCCC1=CN=C(C)N(C)C1.
What is the InChIKey of 5-butyl-2,3-dimethyl-4H-pyrimidine?
The InChIKey is IWPPAVRJKJVEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-5-6-10-7-11-9(2)12(3)8-10/h7H,4-6,8H2,1-3H3.
What are the key properties of 5-butyl-2,3-dimethyl-4H-pyrimidine?
5-butyl-2,3-dimethyl-4H-pyrimidine has a molecular weight of 166.27 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2,3-dimethyl-4H-pyrimidine is sourced from PubChem (CID 142120666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).