2,4-dichloro-6-propan-2-ylpyrimidine;2-propan-2-ylthiophene

C14H18Cl2N2S — CID 159365099

IUPAC2,4-dichloro-6-propan-2-ylpyrimidine;2-propan-2-ylthiophene
SMILESCC(C)c1cc(Cl)nc(Cl)n1.CC(C)c1cccs1
InChIInChI=1S/C7H8Cl2N2.C7H10S/c1-4(2)5-3-6(8)11-7(9)10-5;1-6(2)7-4-3-5-8-7/h3-4H,1-2H3;3-6H,1-2H3
InChIKeyLJAIPBPFMHSQPF-UHFFFAOYSA-N
MW317.29 g/mol
LogP5.78
Rot. Bonds2

About 2,4-dichloro-6-propan-2-ylpyrimidine;2-propan-2-ylthiophene

2,4-dichloro-6-propan-2-ylpyrimidine;2-propan-2-ylthiophene (PubChem CID 159365099) has the molecular formula C14H18Cl2N2S and a molecular weight of 317.29 g/mol. Its IUPAC name is 2,4-dichloro-6-propan-2-ylpyrimidine;2-propan-2-ylthiophene.

Molecular Properties

Compound Name2,4-dichloro-6-propan-2-ylpyrimidine;2-propan-2-ylthiophene
PubChem CID159365099
Molecular FormulaC14H18Cl2N2S
Molecular Weight317.29 g/mol
Exact Mass316.06
IUPAC Name2,4-dichloro-6-propan-2-ylpyrimidine;2-propan-2-ylthiophene
SMILESCC(C)c1cc(Cl)nc(Cl)n1.CC(C)c1cccs1
InChIInChI=1S/C7H8Cl2N2.C7H10S/c1-4(2)5-3-6(8)11-7(9)10-5;1-6(2)7-4-3-5-8-7/h3-4H,1-2H3;3-6H,1-2H3
InChIKeyLJAIPBPFMHSQPF-UHFFFAOYSA-N
XLogP5.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.29
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-propan-2-ylthiophene
CID 178128598
4-chloro-2-(3-methylthiophen-2-yl)-6-propan-2-ylpyrimidine
CID 43557747
2-chloro-5-propan-2-ylthiophene;2-propan-2-ylthiophene
CID 165073785
2-chloro-N,6-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 62482403
6-chloro-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,4-diamine
CID 114070560
2-chloro-4-methyl-6-propan-2-ylpyridine
CID 55264286
(2-chloro-6-propan-2-ylpyrimidin-4-yl)methanamine
CID 83851945
4-chloro-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-ylpyrimidine
CID 54977971
4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidine
CID 61392937
6-chloro-2-propyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80940733
4-chloro-6-methyl-5-propan-2-yl-2-thiophen-2-ylpyrimidine
CID 62913706
6-chloro-2-N,2-N-dimethyl-4-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 62863344

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-propan-2-ylpyrimidine;2-propan-2-ylthiophene?
The IUPAC name of 2,4-dichloro-6-propan-2-ylpyrimidine;2-propan-2-ylthiophene (CID 159365099) is 2,4-dichloro-6-propan-2-ylpyrimidine;2-propan-2-ylthiophene.
What is the SMILES notation for 2,4-dichloro-6-propan-2-ylpyrimidine;2-propan-2-ylthiophene?
The canonical SMILES for 2,4-dichloro-6-propan-2-ylpyrimidine;2-propan-2-ylthiophene is CC(C)c1cc(Cl)nc(Cl)n1.CC(C)c1cccs1.
What is the InChIKey of 2,4-dichloro-6-propan-2-ylpyrimidine;2-propan-2-ylthiophene?
The InChIKey is LJAIPBPFMHSQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2.C7H10S/c1-4(2)5-3-6(8)11-7(9)10-5;1-6(2)7-4-3-5-8-7/h3-4H,1-2H3;3-6H,1-2H3.
What are the key properties of 2,4-dichloro-6-propan-2-ylpyrimidine;2-propan-2-ylthiophene?
2,4-dichloro-6-propan-2-ylpyrimidine;2-propan-2-ylthiophene has a molecular weight of 317.29 g/mol, XLogP of 5.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-propan-2-ylpyrimidine;2-propan-2-ylthiophene is sourced from PubChem (CID 159365099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).