5-butan-2-yl-4-methylpyrimidine

C9H14N2 — CID 138494924

IUPAC5-butan-2-yl-4-methylpyrimidine
SMILESCCC(C)c1cncnc1C
InChIInChI=1S/C9H14N2/c1-4-7(2)9-5-10-6-11-8(9)3/h5-7H,4H2,1-3H3
InChIKeyMKRAWIFKHJQIHW-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.30
Rot. Bonds2

About 5-butan-2-yl-4-methylpyrimidine

5-butan-2-yl-4-methylpyrimidine (PubChem CID 138494924) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 5-butan-2-yl-4-methylpyrimidine.

Molecular Properties

Compound Name5-butan-2-yl-4-methylpyrimidine
PubChem CID138494924
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name5-butan-2-yl-4-methylpyrimidine
SMILESCCC(C)c1cncnc1C
InChIInChI=1S/C9H14N2/c1-4-7(2)9-5-10-6-11-8(9)3/h5-7H,4H2,1-3H3
InChIKeyMKRAWIFKHJQIHW-UHFFFAOYSA-N
XLogP2.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-4-methylpyrimidine?
The IUPAC name of 5-butan-2-yl-4-methylpyrimidine (CID 138494924) is 5-butan-2-yl-4-methylpyrimidine.
What is the SMILES notation for 5-butan-2-yl-4-methylpyrimidine?
The canonical SMILES for 5-butan-2-yl-4-methylpyrimidine is CCC(C)c1cncnc1C.
What is the InChIKey of 5-butan-2-yl-4-methylpyrimidine?
The InChIKey is MKRAWIFKHJQIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-7(2)9-5-10-6-11-8(9)3/h5-7H,4H2,1-3H3.
What are the key properties of 5-butan-2-yl-4-methylpyrimidine?
5-butan-2-yl-4-methylpyrimidine has a molecular weight of 150.22 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-4-methylpyrimidine is sourced from PubChem (CID 138494924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).