4-butyl-1,4-dimethylpyrimidine

C10H18N2 — CID 90735607

IUPAC4-butyl-1,4-dimethylpyrimidine
SMILESCCCCC1(C)C=CN(C)C=N1
InChIInChI=1S/C10H18N2/c1-4-5-6-10(2)7-8-12(3)9-11-10/h7-9H,4-6H2,1-3H3
InChIKeyINFVWIDDCPNDRD-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.42
Rot. Bonds3

About 4-butyl-1,4-dimethylpyrimidine

4-butyl-1,4-dimethylpyrimidine (PubChem CID 90735607) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 4-butyl-1,4-dimethylpyrimidine.

Molecular Properties

Compound Name4-butyl-1,4-dimethylpyrimidine
PubChem CID90735607
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name4-butyl-1,4-dimethylpyrimidine
SMILESCCCCC1(C)C=CN(C)C=N1
InChIInChI=1S/C10H18N2/c1-4-5-6-10(2)7-8-12(3)9-11-10/h7-9H,4-6H2,1-3H3
InChIKeyINFVWIDDCPNDRD-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 4-butyl-1,4-dimethylpyrimidine?
The IUPAC name of 4-butyl-1,4-dimethylpyrimidine (CID 90735607) is 4-butyl-1,4-dimethylpyrimidine.
What is the SMILES notation for 4-butyl-1,4-dimethylpyrimidine?
The canonical SMILES for 4-butyl-1,4-dimethylpyrimidine is CCCCC1(C)C=CN(C)C=N1.
What is the InChIKey of 4-butyl-1,4-dimethylpyrimidine?
The InChIKey is INFVWIDDCPNDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-5-6-10(2)7-8-12(3)9-11-10/h7-9H,4-6H2,1-3H3.
What are the key properties of 4-butyl-1,4-dimethylpyrimidine?
4-butyl-1,4-dimethylpyrimidine 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 4-butyl-1,4-dimethylpyrimidine is sourced from PubChem (CID 90735607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).