6-chloro-5-methyl-2-propan-2-yl-N-thiophen-3-ylpyrimidin-4-amine

C12H14ClN3S — CID 80978315

IUPAC6-chloro-5-methyl-2-propan-2-yl-N-thiophen-3-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1Nc1ccsc1
InChIInChI=1S/C12H14ClN3S/c1-7(2)11-15-10(13)8(3)12(16-11)14-9-4-5-17-6-9/h4-7H,1-3H3,(H,14,15,16)
InChIKeyAKUBQNNXIKYCNI-UHFFFAOYSA-N
MW267.78 g/mol
LogP4.37
Rot. Bonds3

About 6-chloro-5-methyl-2-propan-2-yl-N-thiophen-3-ylpyrimidin-4-amine

6-chloro-5-methyl-2-propan-2-yl-N-thiophen-3-ylpyrimidin-4-amine (PubChem CID 80978315) has the molecular formula C12H14ClN3S and a molecular weight of 267.78 g/mol. Its IUPAC name is 6-chloro-5-methyl-2-propan-2-yl-N-thiophen-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-2-propan-2-yl-N-thiophen-3-ylpyrimidin-4-amine
PubChem CID80978315
Molecular FormulaC12H14ClN3S
Molecular Weight267.78 g/mol
Exact Mass267.06
IUPAC Name6-chloro-5-methyl-2-propan-2-yl-N-thiophen-3-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1Nc1ccsc1
InChIInChI=1S/C12H14ClN3S/c1-7(2)11-15-10(13)8(3)12(16-11)14-9-4-5-17-6-9/h4-7H,1-3H3,(H,14,15,16)
InChIKeyAKUBQNNXIKYCNI-UHFFFAOYSA-N
XLogP4.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(3-chloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80972758
6-chloro-N-(3-iodophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80972906
6-chloro-5-methyl-2-propan-2-yl-N-(2,4,5-trichlorophenyl)pyrimidin-4-amine
CID 80973856
6-chloro-N-(3-ethylphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80971019
6-chloro-N-(2,5-dichloro-4-methylphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 104727798
N-(4-bromo-2,3-dichlorophenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 107792299
6-chloro-5-methyl-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 80970598
2,5-dimethyl-4-N-thiophen-3-ylpyrimidine-4,6-diamine
CID 80851513
6-chloro-N-(2,6-dichloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 83079114
N-(2-bromo-4-chlorophenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81280388
N-(2-bromo-5-methylphenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 82766249
6-chloro-5-methyl-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80973311

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-2-propan-2-yl-N-thiophen-3-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-methyl-2-propan-2-yl-N-thiophen-3-ylpyrimidin-4-amine (CID 80978315) is 6-chloro-5-methyl-2-propan-2-yl-N-thiophen-3-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-methyl-2-propan-2-yl-N-thiophen-3-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-methyl-2-propan-2-yl-N-thiophen-3-ylpyrimidin-4-amine is Cc1c(Cl)nc(C(C)C)nc1Nc1ccsc1.
What is the InChIKey of 6-chloro-5-methyl-2-propan-2-yl-N-thiophen-3-ylpyrimidin-4-amine?
The InChIKey is AKUBQNNXIKYCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3S/c1-7(2)11-15-10(13)8(3)12(16-11)14-9-4-5-17-6-9/h4-7H,1-3H3,(H,14,15,16).
What are the key properties of 6-chloro-5-methyl-2-propan-2-yl-N-thiophen-3-ylpyrimidin-4-amine?
6-chloro-5-methyl-2-propan-2-yl-N-thiophen-3-ylpyrimidin-4-amine has a molecular weight of 267.78 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-2-propan-2-yl-N-thiophen-3-ylpyrimidin-4-amine is sourced from PubChem (CID 80978315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).