4-butan-2-yl-1-methyl-2H-pyrimidine

C9H16N2 — CID 155118889

IUPAC4-butan-2-yl-1-methyl-2H-pyrimidine
SMILESCCC(C)C1=NCN(C)C=C1
InChIInChI=1S/C9H16N2/c1-4-8(2)9-5-6-11(3)7-10-9/h5-6,8H,4,7H2,1-3H3
InChIKeyPSIZJSYOUHTYSO-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.89
Rot. Bonds2

About 4-butan-2-yl-1-methyl-2H-pyrimidine

4-butan-2-yl-1-methyl-2H-pyrimidine (PubChem CID 155118889) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-butan-2-yl-1-methyl-2H-pyrimidine.

Molecular Properties

Compound Name4-butan-2-yl-1-methyl-2H-pyrimidine
PubChem CID155118889
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name4-butan-2-yl-1-methyl-2H-pyrimidine
SMILESCCC(C)C1=NCN(C)C=C1
InChIInChI=1S/C9H16N2/c1-4-8(2)9-5-6-11(3)7-10-9/h5-6,8H,4,7H2,1-3H3
InChIKeyPSIZJSYOUHTYSO-UHFFFAOYSA-N
XLogP1.89
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-1-methyl-2H-pyrimidine?
The IUPAC name of 4-butan-2-yl-1-methyl-2H-pyrimidine (CID 155118889) is 4-butan-2-yl-1-methyl-2H-pyrimidine.
What is the SMILES notation for 4-butan-2-yl-1-methyl-2H-pyrimidine?
The canonical SMILES for 4-butan-2-yl-1-methyl-2H-pyrimidine is CCC(C)C1=NCN(C)C=C1.
What is the InChIKey of 4-butan-2-yl-1-methyl-2H-pyrimidine?
The InChIKey is PSIZJSYOUHTYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-8(2)9-5-6-11(3)7-10-9/h5-6,8H,4,7H2,1-3H3.
What are the key properties of 4-butan-2-yl-1-methyl-2H-pyrimidine?
4-butan-2-yl-1-methyl-2H-pyrimidine has a molecular weight of 152.24 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-1-methyl-2H-pyrimidine is sourced from PubChem (CID 155118889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).