2-butan-2-yl-4-chloro-5-ethyl-6-methylpyrimidine

C11H17ClN2 — CID 62313435

IUPAC2-butan-2-yl-4-chloro-5-ethyl-6-methylpyrimidine
SMILESCCc1c(C)nc(C(C)CC)nc1Cl
InChIInChI=1S/C11H17ClN2/c1-5-7(3)11-13-8(4)9(6-2)10(12)14-11/h7H,5-6H2,1-4H3
InChIKeyWUTCYMVDVPRPQV-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.51
Rot. Bonds3

About 2-butan-2-yl-4-chloro-5-ethyl-6-methylpyrimidine

2-butan-2-yl-4-chloro-5-ethyl-6-methylpyrimidine (PubChem CID 62313435) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 2-butan-2-yl-4-chloro-5-ethyl-6-methylpyrimidine.

Molecular Properties

Compound Name2-butan-2-yl-4-chloro-5-ethyl-6-methylpyrimidine
PubChem CID62313435
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name2-butan-2-yl-4-chloro-5-ethyl-6-methylpyrimidine
SMILESCCc1c(C)nc(C(C)CC)nc1Cl
InChIInChI=1S/C11H17ClN2/c1-5-7(3)11-13-8(4)9(6-2)10(12)14-11/h7H,5-6H2,1-4H3
InChIKeyWUTCYMVDVPRPQV-UHFFFAOYSA-N
XLogP3.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-4-chloro-5-ethyl-6-methylpyrimidine?
The IUPAC name of 2-butan-2-yl-4-chloro-5-ethyl-6-methylpyrimidine (CID 62313435) is 2-butan-2-yl-4-chloro-5-ethyl-6-methylpyrimidine.
What is the SMILES notation for 2-butan-2-yl-4-chloro-5-ethyl-6-methylpyrimidine?
The canonical SMILES for 2-butan-2-yl-4-chloro-5-ethyl-6-methylpyrimidine is CCc1c(C)nc(C(C)CC)nc1Cl.
What is the InChIKey of 2-butan-2-yl-4-chloro-5-ethyl-6-methylpyrimidine?
The InChIKey is WUTCYMVDVPRPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-5-7(3)11-13-8(4)9(6-2)10(12)14-11/h7H,5-6H2,1-4H3.
What are the key properties of 2-butan-2-yl-4-chloro-5-ethyl-6-methylpyrimidine?
2-butan-2-yl-4-chloro-5-ethyl-6-methylpyrimidine has a molecular weight of 212.72 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-4-chloro-5-ethyl-6-methylpyrimidine is sourced from PubChem (CID 62313435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).