4-chloro-2,6-di(propan-2-yl)pyrimidine

C10H15ClN2 — CID 43557629

IUPAC4-chloro-2,6-di(propan-2-yl)pyrimidine
SMILESCC(C)c1cc(Cl)nc(C(C)C)n1
InChIInChI=1S/C10H15ClN2/c1-6(2)8-5-9(11)13-10(12-8)7(3)4/h5-7H,1-4H3
InChIKeyVTBIAIVKOAUJGU-UHFFFAOYSA-N
MW198.70 g/mol
LogP3.38
Rot. Bonds2

About 4-chloro-2,6-di(propan-2-yl)pyrimidine

4-chloro-2,6-di(propan-2-yl)pyrimidine (PubChem CID 43557629) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 4-chloro-2,6-di(propan-2-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2,6-di(propan-2-yl)pyrimidine
PubChem CID43557629
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name4-chloro-2,6-di(propan-2-yl)pyrimidine
SMILESCC(C)c1cc(Cl)nc(C(C)C)n1
InChIInChI=1S/C10H15ClN2/c1-6(2)8-5-9(11)13-10(12-8)7(3)4/h5-7H,1-4H3
InChIKeyVTBIAIVKOAUJGU-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 4-chloro-2,6-di(propan-2-yl)pyrimidine?
The IUPAC name of 4-chloro-2,6-di(propan-2-yl)pyrimidine (CID 43557629) is 4-chloro-2,6-di(propan-2-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2,6-di(propan-2-yl)pyrimidine?
The canonical SMILES for 4-chloro-2,6-di(propan-2-yl)pyrimidine is CC(C)c1cc(Cl)nc(C(C)C)n1.
What is the InChIKey of 4-chloro-2,6-di(propan-2-yl)pyrimidine?
The InChIKey is VTBIAIVKOAUJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-6(2)8-5-9(11)13-10(12-8)7(3)4/h5-7H,1-4H3.
What are the key properties of 4-chloro-2,6-di(propan-2-yl)pyrimidine?
4-chloro-2,6-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 4-chloro-2,6-di(propan-2-yl)pyrimidine is sourced from PubChem (CID 43557629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).