5-butan-2-yl-6-methyl-2-propan-2-ylidene-1H-pyrimidine

C12H20N2 — CID 91446217

IUPAC5-butan-2-yl-6-methyl-2-propan-2-ylidene-1H-pyrimidine
SMILESCCC(C)C1=C(C)NC(=C(C)C)N=C1
InChIInChI=1S/C12H20N2/c1-6-9(4)11-7-13-12(8(2)3)14-10(11)5/h7,9,14H,6H2,1-5H3
InChIKeyALXYKVHWNYEAFP-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.23
Rot. Bonds2

About 5-butan-2-yl-6-methyl-2-propan-2-ylidene-1H-pyrimidine

5-butan-2-yl-6-methyl-2-propan-2-ylidene-1H-pyrimidine (PubChem CID 91446217) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 5-butan-2-yl-6-methyl-2-propan-2-ylidene-1H-pyrimidine.

Molecular Properties

Compound Name5-butan-2-yl-6-methyl-2-propan-2-ylidene-1H-pyrimidine
PubChem CID91446217
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name5-butan-2-yl-6-methyl-2-propan-2-ylidene-1H-pyrimidine
SMILESCCC(C)C1=C(C)NC(=C(C)C)N=C1
InChIInChI=1S/C12H20N2/c1-6-9(4)11-7-13-12(8(2)3)14-10(11)5/h7,9,14H,6H2,1-5H3
InChIKeyALXYKVHWNYEAFP-UHFFFAOYSA-N
XLogP3.23
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-6-methyl-2-propan-2-ylidene-1H-pyrimidine?
The IUPAC name of 5-butan-2-yl-6-methyl-2-propan-2-ylidene-1H-pyrimidine (CID 91446217) is 5-butan-2-yl-6-methyl-2-propan-2-ylidene-1H-pyrimidine.
What is the SMILES notation for 5-butan-2-yl-6-methyl-2-propan-2-ylidene-1H-pyrimidine?
The canonical SMILES for 5-butan-2-yl-6-methyl-2-propan-2-ylidene-1H-pyrimidine is CCC(C)C1=C(C)NC(=C(C)C)N=C1.
What is the InChIKey of 5-butan-2-yl-6-methyl-2-propan-2-ylidene-1H-pyrimidine?
The InChIKey is ALXYKVHWNYEAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-6-9(4)11-7-13-12(8(2)3)14-10(11)5/h7,9,14H,6H2,1-5H3.
What are the key properties of 5-butan-2-yl-6-methyl-2-propan-2-ylidene-1H-pyrimidine?
5-butan-2-yl-6-methyl-2-propan-2-ylidene-1H-pyrimidine has a molecular weight of 192.31 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-6-methyl-2-propan-2-ylidene-1H-pyrimidine is sourced from PubChem (CID 91446217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).