4-chloro-6-propan-2-ylpyrimidine

C7H9ClN2 — CID 22308480

IUPAC4-chloro-6-propan-2-ylpyrimidine
SMILESCC(C)c1cc(Cl)ncn1
InChIInChI=1S/C7H9ClN2/c1-5(2)6-3-7(8)10-4-9-6/h3-5H,1-2H3
InChIKeyNENMSRIKRXUOPS-UHFFFAOYSA-N
MW156.62 g/mol
LogP2.25
Rot. Bonds1

About 4-chloro-6-propan-2-ylpyrimidine

4-chloro-6-propan-2-ylpyrimidine (PubChem CID 22308480) has the molecular formula C7H9ClN2 and a molecular weight of 156.62 g/mol. Its IUPAC name is 4-chloro-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-propan-2-ylpyrimidine
PubChem CID22308480
Molecular FormulaC7H9ClN2
Molecular Weight156.62 g/mol
Exact Mass156.05
IUPAC Name4-chloro-6-propan-2-ylpyrimidine
SMILESCC(C)c1cc(Cl)ncn1
InChIInChI=1S/C7H9ClN2/c1-5(2)6-3-7(8)10-4-9-6/h3-5H,1-2H3
InChIKeyNENMSRIKRXUOPS-UHFFFAOYSA-N
XLogP2.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.62
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-propan-2-ylpyrimidine (CID 22308480) is 4-chloro-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-propan-2-ylpyrimidine is CC(C)c1cc(Cl)ncn1.
What is the InChIKey of 4-chloro-6-propan-2-ylpyrimidine?
The InChIKey is NENMSRIKRXUOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2/c1-5(2)6-3-7(8)10-4-9-6/h3-5H,1-2H3.
What are the key properties of 4-chloro-6-propan-2-ylpyrimidine?
4-chloro-6-propan-2-ylpyrimidine has a molecular weight of 156.62 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-propan-2-ylpyrimidine is sourced from PubChem (CID 22308480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).