4-(2-chloropropan-2-yl)-6-methylpyrimidine

C8H11ClN2 — CID 135170628

IUPAC4-(2-chloropropan-2-yl)-6-methylpyrimidine
SMILESCc1cc(C(C)(C)Cl)ncn1
InChIInChI=1S/C8H11ClN2/c1-6-4-7(8(2,3)9)11-5-10-6/h4-5H,1-3H3
InChIKeyADELKRWEUDBWPI-UHFFFAOYSA-N
MW170.64 g/mol
LogP2.26
Rot. Bonds1

About 4-(2-chloropropan-2-yl)-6-methylpyrimidine

4-(2-chloropropan-2-yl)-6-methylpyrimidine (PubChem CID 135170628) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is 4-(2-chloropropan-2-yl)-6-methylpyrimidine.

Molecular Properties

Compound Name4-(2-chloropropan-2-yl)-6-methylpyrimidine
PubChem CID135170628
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name4-(2-chloropropan-2-yl)-6-methylpyrimidine
SMILESCc1cc(C(C)(C)Cl)ncn1
InChIInChI=1S/C8H11ClN2/c1-6-4-7(8(2,3)9)11-5-10-6/h4-5H,1-3H3
InChIKeyADELKRWEUDBWPI-UHFFFAOYSA-N
XLogP2.26
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(1,1-difluoroethyl)-6-methylpyrimidine
CID 121391476
CID 175435599
CID 175435599
4-methyl-6-(6-methylpyrimidin-4-yl)pyrimidine
CID 21259166
4-(2,2-dimethylpropyl)-6-methylpyrimidine
CID 67153927
6-methyl-N-(2,2,3-trimethylbutyl)pyrimidin-4-amine
CID 102609023
1-hydroxy-4,4-dimethyl-1-(6-methylpyrimidin-4-yl)pent-1-en-3-one
CID 154007427
4-methyl-6-(trifluoromethoxy)pyrimidine
CID 167503979
N-(1-fluoro-2-methylpropan-2-yl)-6-methylpyrimidin-4-amine
CID 126987889
6-methylpyrimidine-4-carbonitrile
CID 12684335
N'-ethyl-2,2-dimethyl-N'-(6-methylpyrimidin-4-yl)propane-1,3-diamine
CID 79662174
4-tert-butyl-6-pyrimidin-2-ylpyrimidine
CID 162488354
4-(2-chloropropyl)-6-methylpyrimidine
CID 63205078

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloropropan-2-yl)-6-methylpyrimidine?
The IUPAC name of 4-(2-chloropropan-2-yl)-6-methylpyrimidine (CID 135170628) is 4-(2-chloropropan-2-yl)-6-methylpyrimidine.
What is the SMILES notation for 4-(2-chloropropan-2-yl)-6-methylpyrimidine?
The canonical SMILES for 4-(2-chloropropan-2-yl)-6-methylpyrimidine is Cc1cc(C(C)(C)Cl)ncn1.
What is the InChIKey of 4-(2-chloropropan-2-yl)-6-methylpyrimidine?
The InChIKey is ADELKRWEUDBWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2/c1-6-4-7(8(2,3)9)11-5-10-6/h4-5H,1-3H3.
What are the key properties of 4-(2-chloropropan-2-yl)-6-methylpyrimidine?
4-(2-chloropropan-2-yl)-6-methylpyrimidine has a molecular weight of 170.64 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloropropan-2-yl)-6-methylpyrimidine is sourced from PubChem (CID 135170628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).