5-chloro-2,4-di(propan-2-yl)pyrimidine

C10H15ClN2 — CID 121312283

IUPAC5-chloro-2,4-di(propan-2-yl)pyrimidine
SMILESCC(C)c1ncc(Cl)c(C(C)C)n1
InChIInChI=1S/C10H15ClN2/c1-6(2)9-8(11)5-12-10(13-9)7(3)4/h5-7H,1-4H3
InChIKeySSGLGSWPJGSALA-UHFFFAOYSA-N
MW198.70 g/mol
LogP3.38
Rot. Bonds2

About 5-chloro-2,4-di(propan-2-yl)pyrimidine

5-chloro-2,4-di(propan-2-yl)pyrimidine (PubChem CID 121312283) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 5-chloro-2,4-di(propan-2-yl)pyrimidine.

Molecular Properties

Compound Name5-chloro-2,4-di(propan-2-yl)pyrimidine
PubChem CID121312283
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name5-chloro-2,4-di(propan-2-yl)pyrimidine
SMILESCC(C)c1ncc(Cl)c(C(C)C)n1
InChIInChI=1S/C10H15ClN2/c1-6(2)9-8(11)5-12-10(13-9)7(3)4/h5-7H,1-4H3
InChIKeySSGLGSWPJGSALA-UHFFFAOYSA-N
XLogP3.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,4-di(propan-2-yl)pyrimidine?
The IUPAC name of 5-chloro-2,4-di(propan-2-yl)pyrimidine (CID 121312283) is 5-chloro-2,4-di(propan-2-yl)pyrimidine.
What is the SMILES notation for 5-chloro-2,4-di(propan-2-yl)pyrimidine?
The canonical SMILES for 5-chloro-2,4-di(propan-2-yl)pyrimidine is CC(C)c1ncc(Cl)c(C(C)C)n1.
What is the InChIKey of 5-chloro-2,4-di(propan-2-yl)pyrimidine?
The InChIKey is SSGLGSWPJGSALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-6(2)9-8(11)5-12-10(13-9)7(3)4/h5-7H,1-4H3.
What are the key properties of 5-chloro-2,4-di(propan-2-yl)pyrimidine?
5-chloro-2,4-di(propan-2-yl)pyrimidine has a molecular weight of 198.70 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,4-di(propan-2-yl)pyrimidine is sourced from PubChem (CID 121312283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).