2-[(2-chlorophenyl)methylsulfanyl]-N,N,5-trimethylpyrimidin-4-amine;hydrochloride

C14H17Cl2N3S — CID 21122574

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-N,N,5-trimethylpyrimidin-4-amine;hydrochloride
SMILESCc1cnc(SCc2ccccc2Cl)nc1N(C)C.Cl
InChIInChI=1S/C14H16ClN3S.ClH/c1-10-8-16-14(17-13(10)18(2)3)19-9-11-6-4-5-7-12(11)15;/h4-8H,9H2,1-3H3;1H
InChIKeyDLDAOGLPDLBMBK-UHFFFAOYSA-N
MW330.28 g/mol
LogP4.22
Rot. Bonds4

About 2-[(2-chlorophenyl)methylsulfanyl]-N,N,5-trimethylpyrimidin-4-amine;hydrochloride

2-[(2-chlorophenyl)methylsulfanyl]-N,N,5-trimethylpyrimidin-4-amine;hydrochloride (PubChem CID 21122574) has the molecular formula C14H17Cl2N3S and a molecular weight of 330.28 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-N,N,5-trimethylpyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-N,N,5-trimethylpyrimidin-4-amine;hydrochloride
PubChem CID21122574
Molecular FormulaC14H17Cl2N3S
Molecular Weight330.28 g/mol
Exact Mass329.05
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-N,N,5-trimethylpyrimidin-4-amine;hydrochloride
SMILESCc1cnc(SCc2ccccc2Cl)nc1N(C)C.Cl
InChIInChI=1S/C14H16ClN3S.ClH/c1-10-8-16-14(17-13(10)18(2)3)19-9-11-6-4-5-7-12(11)15;/h4-8H,9H2,1-3H3;1H
InChIKeyDLDAOGLPDLBMBK-UHFFFAOYSA-N
XLogP4.22
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.28
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N,N,5-trimethylpyrimidin-4-amine;hydrochloride?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N,N,5-trimethylpyrimidin-4-amine;hydrochloride (CID 21122574) is 2-[(2-chlorophenyl)methylsulfanyl]-N,N,5-trimethylpyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-N,N,5-trimethylpyrimidin-4-amine;hydrochloride?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-N,N,5-trimethylpyrimidin-4-amine;hydrochloride is Cc1cnc(SCc2ccccc2Cl)nc1N(C)C.Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-N,N,5-trimethylpyrimidin-4-amine;hydrochloride?
The InChIKey is DLDAOGLPDLBMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3S.ClH/c1-10-8-16-14(17-13(10)18(2)3)19-9-11-6-4-5-7-12(11)15;/h4-8H,9H2,1-3H3;1H.
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-N,N,5-trimethylpyrimidin-4-amine;hydrochloride?
2-[(2-chlorophenyl)methylsulfanyl]-N,N,5-trimethylpyrimidin-4-amine;hydrochloride has a molecular weight of 330.28 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-N,N,5-trimethylpyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 21122574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).