2-tert-butyl-5-(2-pyrimidin-2-ylprop-1-enyl)pyrimidine

C15H18N4 — CID 136555933

IUPAC2-tert-butyl-5-(2-pyrimidin-2-ylprop-1-enyl)pyrimidine
SMILESCC(=Cc1cnc(C(C)(C)C)nc1)c1ncccn1
InChIInChI=1S/C15H18N4/c1-11(13-16-6-5-7-17-13)8-12-9-18-14(19-10-12)15(2,3)4/h5-10H,1-4H3
InChIKeyOQQLBQBGPOQBFY-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.12
Rot. Bonds2

About 2-tert-butyl-5-(2-pyrimidin-2-ylprop-1-enyl)pyrimidine

2-tert-butyl-5-(2-pyrimidin-2-ylprop-1-enyl)pyrimidine (PubChem CID 136555933) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-tert-butyl-5-(2-pyrimidin-2-ylprop-1-enyl)pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-5-(2-pyrimidin-2-ylprop-1-enyl)pyrimidine
PubChem CID136555933
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name2-tert-butyl-5-(2-pyrimidin-2-ylprop-1-enyl)pyrimidine
SMILESCC(=Cc1cnc(C(C)(C)C)nc1)c1ncccn1
InChIInChI=1S/C15H18N4/c1-11(13-16-6-5-7-17-13)8-12-9-18-14(19-10-12)15(2,3)4/h5-10H,1-4H3
InChIKeyOQQLBQBGPOQBFY-UHFFFAOYSA-N
XLogP3.12
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2-pyrimidin-2-ylprop-1-enyl)pyrimidine?
The IUPAC name of 2-tert-butyl-5-(2-pyrimidin-2-ylprop-1-enyl)pyrimidine (CID 136555933) is 2-tert-butyl-5-(2-pyrimidin-2-ylprop-1-enyl)pyrimidine.
What is the SMILES notation for 2-tert-butyl-5-(2-pyrimidin-2-ylprop-1-enyl)pyrimidine?
The canonical SMILES for 2-tert-butyl-5-(2-pyrimidin-2-ylprop-1-enyl)pyrimidine is CC(=Cc1cnc(C(C)(C)C)nc1)c1ncccn1.
What is the InChIKey of 2-tert-butyl-5-(2-pyrimidin-2-ylprop-1-enyl)pyrimidine?
The InChIKey is OQQLBQBGPOQBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-11(13-16-6-5-7-17-13)8-12-9-18-14(19-10-12)15(2,3)4/h5-10H,1-4H3.
What are the key properties of 2-tert-butyl-5-(2-pyrimidin-2-ylprop-1-enyl)pyrimidine?
2-tert-butyl-5-(2-pyrimidin-2-ylprop-1-enyl)pyrimidine has a molecular weight of 254.34 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2-pyrimidin-2-ylprop-1-enyl)pyrimidine is sourced from PubChem (CID 136555933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).