6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-N,5-dimethylpyrimidin-4-amine

C13H15Cl2N3S — CID 80971305

IUPAC6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-N,5-dimethylpyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(N(C)Cc2ccc(Cl)s2)n1
InChIInChI=1S/C13H15Cl2N3S/c1-4-11-16-12(15)8(2)13(17-11)18(3)7-9-5-6-10(14)19-9/h5-6H,4,7H2,1-3H3
InChIKeyRBLMCZLBTWJNRU-UHFFFAOYSA-N
MW316.26 g/mol
LogP4.35
Rot. Bonds4

About 6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-N,5-dimethylpyrimidin-4-amine

6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-N,5-dimethylpyrimidin-4-amine (PubChem CID 80971305) has the molecular formula C13H15Cl2N3S and a molecular weight of 316.26 g/mol. Its IUPAC name is 6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-N,5-dimethylpyrimidin-4-amine
PubChem CID80971305
Molecular FormulaC13H15Cl2N3S
Molecular Weight316.26 g/mol
Exact Mass315.04
IUPAC Name6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-N,5-dimethylpyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(N(C)Cc2ccc(Cl)s2)n1
InChIInChI=1S/C13H15Cl2N3S/c1-4-11-16-12(15)8(2)13(17-11)18(3)7-9-5-6-10(14)19-9/h5-6H,4,7H2,1-3H3
InChIKeyRBLMCZLBTWJNRU-UHFFFAOYSA-N
XLogP4.35
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-N,5-dimethylpyrimidin-4-amine (CID 80971305) is 6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-N,5-dimethylpyrimidin-4-amine is CCc1nc(Cl)c(C)c(N(C)Cc2ccc(Cl)s2)n1.
What is the InChIKey of 6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-N,5-dimethylpyrimidin-4-amine?
The InChIKey is RBLMCZLBTWJNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3S/c1-4-11-16-12(15)8(2)13(17-11)18(3)7-9-5-6-10(14)19-9/h5-6H,4,7H2,1-3H3.
What are the key properties of 6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-N,5-dimethylpyrimidin-4-amine?
6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-N,5-dimethylpyrimidin-4-amine has a molecular weight of 316.26 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80971305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).