4-chloro-6-methoxy-5-propan-2-ylpyrimidine

C8H11ClN2O — CID 63735690

IUPAC4-chloro-6-methoxy-5-propan-2-ylpyrimidine
SMILESCOc1ncnc(Cl)c1C(C)C
InChIInChI=1S/C8H11ClN2O/c1-5(2)6-7(9)10-4-11-8(6)12-3/h4-5H,1-3H3
InChIKeySSOULAIXABYUAC-UHFFFAOYSA-N
MW186.64 g/mol
LogP2.26
Rot. Bonds2

About 4-chloro-6-methoxy-5-propan-2-ylpyrimidine

4-chloro-6-methoxy-5-propan-2-ylpyrimidine (PubChem CID 63735690) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 4-chloro-6-methoxy-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-methoxy-5-propan-2-ylpyrimidine
PubChem CID63735690
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name4-chloro-6-methoxy-5-propan-2-ylpyrimidine
SMILESCOc1ncnc(Cl)c1C(C)C
InChIInChI=1S/C8H11ClN2O/c1-5(2)6-7(9)10-4-11-8(6)12-3/h4-5H,1-3H3
InChIKeySSOULAIXABYUAC-UHFFFAOYSA-N
XLogP2.26
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-5-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-methoxy-5-propan-2-ylpyrimidine (CID 63735690) is 4-chloro-6-methoxy-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-methoxy-5-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-methoxy-5-propan-2-ylpyrimidine is COc1ncnc(Cl)c1C(C)C.
What is the InChIKey of 4-chloro-6-methoxy-5-propan-2-ylpyrimidine?
The InChIKey is SSOULAIXABYUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-5(2)6-7(9)10-4-11-8(6)12-3/h4-5H,1-3H3.
What are the key properties of 4-chloro-6-methoxy-5-propan-2-ylpyrimidine?
4-chloro-6-methoxy-5-propan-2-ylpyrimidine has a molecular weight of 186.64 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-5-propan-2-ylpyrimidine is sourced from PubChem (CID 63735690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).