4-chloro-6-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyrimidin-2-amine

C19H21ClN6OS — CID 55570137

IUPAC4-chloro-6-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyrimidin-2-amine
SMILESCOc1ccc(-c2nc(CN3CCN(c4cc(Cl)nc(N)n4)CC3)cs2)cc1
InChIInChI=1S/C19H21ClN6OS/c1-27-15-4-2-13(3-5-15)18-22-14(12-28-18)11-25-6-8-26(9-7-25)17-10-16(20)23-19(21)24-17/h2-5,10,12H,6-9,11H2,1H3,(H2,21,23,24)
InChIKeyUPCLAIPBPCPUBH-UHFFFAOYSA-N
MW416.94 g/mol
LogP3.17
Rot. Bonds5

About 4-chloro-6-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyrimidin-2-amine

4-chloro-6-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyrimidin-2-amine (PubChem CID 55570137) has the molecular formula C19H21ClN6OS and a molecular weight of 416.94 g/mol. Its IUPAC name is 4-chloro-6-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyrimidin-2-amine
PubChem CID55570137
Molecular FormulaC19H21ClN6OS
Molecular Weight416.94 g/mol
Exact Mass416.12
IUPAC Name4-chloro-6-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyrimidin-2-amine
SMILESCOc1ccc(-c2nc(CN3CCN(c4cc(Cl)nc(N)n4)CC3)cs2)cc1
InChIInChI=1S/C19H21ClN6OS/c1-27-15-4-2-13(3-5-15)18-22-14(12-28-18)11-25-6-8-26(9-7-25)17-10-16(20)23-19(21)24-17/h2-5,10,12H,6-9,11H2,1H3,(H2,21,23,24)
InChIKeyUPCLAIPBPCPUBH-UHFFFAOYSA-N
XLogP3.17
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.94
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyrimidin-2-amine (CID 55570137) is 4-chloro-6-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyrimidin-2-amine is COc1ccc(-c2nc(CN3CCN(c4cc(Cl)nc(N)n4)CC3)cs2)cc1.
What is the InChIKey of 4-chloro-6-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is UPCLAIPBPCPUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6OS/c1-27-15-4-2-13(3-5-15)18-22-14(12-28-18)11-25-6-8-26(9-7-25)17-10-16(20)23-19(21)24-17/h2-5,10,12H,6-9,11H2,1H3,(H2,21,23,24).
What are the key properties of 4-chloro-6-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyrimidin-2-amine?
4-chloro-6-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 416.94 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 55570137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).