4-chloro-6-propan-2-ylpyrimidine;cumene;2,3-dimethylbutane;2-methylpropane;1-methylsulfonyl-3-propan-2-ylbenzene;propan-2-ylcyclohexane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine

C75H119ClN8O2S — CID 158964791

About 4-chloro-6-propan-2-ylpyrimidine;cumene;2,3-dimethylbutane;2-methylpropane;1-methylsulfonyl-3-propan-2-ylbenzene;propan-2-ylcyclohexane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine

4-chloro-6-propan-2-ylpyrimidine;cumene;2,3-dimethylbutane;2-methylpropane;1-methylsulfonyl-3-propan-2-ylbenzene;propan-2-ylcyclohexane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine (PubChem CID 158964791) has the molecular formula C75H119ClN8O2S and a molecular weight of 1232.35 g/mol. Its IUPAC name is 4-chloro-6-propan-2-ylpyrimidine;cumene;2,3-dimethylbutane;2-methylpropane;1-methylsulfonyl-3-propan-2-ylbenzene;propan-2-ylcyclohexane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine.

Molecular Properties

• Compound Name: 4-chloro-6-propan-2-ylpyrimidine;cumene;2,3-dimethylbutane;2-methylpropane;1-methylsulfonyl-3-propan-2-ylbenzene;propan-2-ylcyclohexane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine
• PubChem CID: 158964791
• Molecular Formula: C75H119ClN8O2S
• Molecular Weight: 1232.35 g/mol
• Exact Mass: 1230.89
• IUPAC Name: 4-chloro-6-propan-2-ylpyrimidine;cumene;2,3-dimethylbutane;2-methylpropane;1-methylsulfonyl-3-propan-2-ylbenzene;propan-2-ylcyclohexane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine
• SMILES: CC(C)C.CC(C)C(C)C.CC(C)C1CCCCC1.CC(C)c1cc(Cl)ncn1.CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncn1.CC(C)c1ncccn1
• InChI: InChI=1S/C10H14O2S.C9H18.C9H12.2C8H11N.C7H9ClN2.2C7H10N2.C6H14.C4H10/c1-8(2)9-5-4-6-10(7-9)13(3,11)12;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-5(2)6-3-7(8)10-4-9-6;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-5(2)6(3)4;1-4(2)3/h4-8H,1-3H3;8-9H,3-7H2,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;3-5H,1-2H3;2*3-6H,1-2H3;5-6H,1-4H3;4H,1-3H3
• InChIKey: JNBGVFMZEHBIPB-UHFFFAOYSA-N
• XLogP: 22.07
• TPSA: 137.26 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1232.35
LogP ≤ 5	22.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-propan-2-ylpyrimidine;cumene;2,3-dimethylbutane;2-methylpropane;1-methylsulfonyl-3-propan-2-ylbenzene;propan-2-ylcyclohexane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine?

The IUPAC name of 4-chloro-6-propan-2-ylpyrimidine;cumene;2,3-dimethylbutane;2-methylpropane;1-methylsulfonyl-3-propan-2-ylbenzene;propan-2-ylcyclohexane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine (CID 158964791) is 4-chloro-6-propan-2-ylpyrimidine;cumene;2,3-dimethylbutane;2-methylpropane;1-methylsulfonyl-3-propan-2-ylbenzene;propan-2-ylcyclohexane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine.

What is the SMILES notation for 4-chloro-6-propan-2-ylpyrimidine;cumene;2,3-dimethylbutane;2-methylpropane;1-methylsulfonyl-3-propan-2-ylbenzene;propan-2-ylcyclohexane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine?

The canonical SMILES for 4-chloro-6-propan-2-ylpyrimidine;cumene;2,3-dimethylbutane;2-methylpropane;1-methylsulfonyl-3-propan-2-ylbenzene;propan-2-ylcyclohexane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine is CC(C)C.CC(C)C(C)C.CC(C)C1CCCCC1.CC(C)c1cc(Cl)ncn1.CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncn1.CC(C)c1ncccn1.

What is the InChIKey of 4-chloro-6-propan-2-ylpyrimidine;cumene;2,3-dimethylbutane;2-methylpropane;1-methylsulfonyl-3-propan-2-ylbenzene;propan-2-ylcyclohexane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine?

The InChIKey is JNBGVFMZEHBIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S.C9H18.C9H12.2C8H11N.C7H9ClN2.2C7H10N2.C6H14.C4H10/c1-8(2)9-5-4-6-10(7-9)13(3,11)12;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-5(2)6-3-7(8)10-4-9-6;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-5(2)6(3)4;1-4(2)3/h4-8H,1-3H3;8-9H,3-7H2,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;3-5H,1-2H3;2*3-6H,1-2H3;5-6H,1-4H3;4H,1-3H3.

What are the key properties of 4-chloro-6-propan-2-ylpyrimidine;cumene;2,3-dimethylbutane;2-methylpropane;1-methylsulfonyl-3-propan-2-ylbenzene;propan-2-ylcyclohexane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine?

4-chloro-6-propan-2-ylpyrimidine;cumene;2,3-dimethylbutane;2-methylpropane;1-methylsulfonyl-3-propan-2-ylbenzene;propan-2-ylcyclohexane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine has a molecular weight of 1232.35 g/mol, XLogP of 22.07, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-6-propan-2-ylpyrimidine;cumene;2,3-dimethylbutane;2-methylpropane;1-methylsulfonyl-3-propan-2-ylbenzene;propan-2-ylcyclohexane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine is sourced from PubChem (CID 158964791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).