4-chloro-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-N-(2-phenylethyl)pyrimidin-2-amine

C18H24ClN5S — CID 15567755

IUPAC4-chloro-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-N-(2-phenylethyl)pyrimidin-2-amine
SMILESCSc1c(Cl)nc(NCCc2ccccc2)nc1N1CCN(C)CC1
InChIInChI=1S/C18H24ClN5S/c1-23-10-12-24(13-11-23)17-15(25-2)16(19)21-18(22-17)20-9-8-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3,(H,20,21,22)
InChIKeyRUPVCEYRLQHAJT-UHFFFAOYSA-N
MW377.95 g/mol
LogP3.26
Rot. Bonds6

About 4-chloro-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-N-(2-phenylethyl)pyrimidin-2-amine

4-chloro-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-N-(2-phenylethyl)pyrimidin-2-amine (PubChem CID 15567755) has the molecular formula C18H24ClN5S and a molecular weight of 377.95 g/mol. Its IUPAC name is 4-chloro-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-N-(2-phenylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-N-(2-phenylethyl)pyrimidin-2-amine
PubChem CID15567755
Molecular FormulaC18H24ClN5S
Molecular Weight377.95 g/mol
Exact Mass377.14
IUPAC Name4-chloro-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-N-(2-phenylethyl)pyrimidin-2-amine
SMILESCSc1c(Cl)nc(NCCc2ccccc2)nc1N1CCN(C)CC1
InChIInChI=1S/C18H24ClN5S/c1-23-10-12-24(13-11-23)17-15(25-2)16(19)21-18(22-17)20-9-8-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3,(H,20,21,22)
InChIKeyRUPVCEYRLQHAJT-UHFFFAOYSA-N
XLogP3.26
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.95
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-N-(2-phenylethyl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-N-(2-phenylethyl)pyrimidin-2-amine (CID 15567755) is 4-chloro-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-N-(2-phenylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-N-(2-phenylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-N-(2-phenylethyl)pyrimidin-2-amine is CSc1c(Cl)nc(NCCc2ccccc2)nc1N1CCN(C)CC1.
What is the InChIKey of 4-chloro-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-N-(2-phenylethyl)pyrimidin-2-amine?
The InChIKey is RUPVCEYRLQHAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5S/c1-23-10-12-24(13-11-23)17-15(25-2)16(19)21-18(22-17)20-9-8-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3,(H,20,21,22).
What are the key properties of 4-chloro-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-N-(2-phenylethyl)pyrimidin-2-amine?
4-chloro-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-N-(2-phenylethyl)pyrimidin-2-amine has a molecular weight of 377.95 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-N-(2-phenylethyl)pyrimidin-2-amine is sourced from PubChem (CID 15567755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).