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

C14H17Cl2N3S — CID 106038517

IUPAC6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1NCCc1ccc(Cl)s1
InChIInChI=1S/C14H17Cl2N3S/c1-8(2)13-18-12(16)9(3)14(19-13)17-7-6-10-4-5-11(15)20-10/h4-5,8H,6-7H2,1-3H3,(H,17,18,19)
InChIKeyMLQZMFIWJUIWPU-UHFFFAOYSA-N
MW330.28 g/mol
LogP4.93
Rot. Bonds5

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

6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 106038517) has the molecular formula C14H17Cl2N3S and a molecular weight of 330.28 g/mol. Its IUPAC name is 6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID106038517
Molecular FormulaC14H17Cl2N3S
Molecular Weight330.28 g/mol
Exact Mass329.05
IUPAC Name6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1NCCc1ccc(Cl)s1
InChIInChI=1S/C14H17Cl2N3S/c1-8(2)13-18-12(16)9(3)14(19-13)17-7-6-10-4-5-11(15)20-10/h4-5,8H,6-7H2,1-3H3,(H,17,18,19)
InChIKeyMLQZMFIWJUIWPU-UHFFFAOYSA-N
XLogP4.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.28
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]phenol
CID 80979409
4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 106042449
4-N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80983416
6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylpyridazin-3-amine
CID 106038485
6-chloro-N-[(4-chlorophenyl)methyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80970081
6-chloro-N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 106193809
4-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 106842904
6-chloro-N-hexyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80978049
6-chloro-5-methyl-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 80970598
6-chloro-N-(2,2-dimethylpropyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80970249
6-chloro-5-methyl-N-(2-methylsulfonylethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80971193
6-chloro-N-(3-ethylsulfanylpropyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 114248421

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine (CID 106038517) is 6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine is Cc1c(Cl)nc(C(C)C)nc1NCCc1ccc(Cl)s1.
What is the InChIKey of 6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is MLQZMFIWJUIWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3S/c1-8(2)13-18-12(16)9(3)14(19-13)17-7-6-10-4-5-11(15)20-10/h4-5,8H,6-7H2,1-3H3,(H,17,18,19).
What are the key properties of 6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine?
6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 330.28 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 106038517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).