5-methyl-2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-1,3-thiazole

C18H27N7S — CID 165433029

IUPAC5-methyl-2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-1,3-thiazole
SMILESCc1cc(N2CCN(c3ncc(C)s3)CC2)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C18H27N7S/c1-14-12-16(21-17(20-14)24-6-4-22(3)5-7-24)23-8-10-25(11-9-23)18-19-13-15(2)26-18/h12-13H,4-11H2,1-3H3
InChIKeyRDYRFPYDYYMCSQ-UHFFFAOYSA-N
MW373.53 g/mol
LogP1.63
Rot. Bonds3

About 5-methyl-2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-1,3-thiazole

5-methyl-2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-1,3-thiazole (PubChem CID 165433029) has the molecular formula C18H27N7S and a molecular weight of 373.53 g/mol. Its IUPAC name is 5-methyl-2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-1,3-thiazole
PubChem CID165433029
Molecular FormulaC18H27N7S
Molecular Weight373.53 g/mol
Exact Mass373.20
IUPAC Name5-methyl-2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-1,3-thiazole
SMILESCc1cc(N2CCN(c3ncc(C)s3)CC2)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C18H27N7S/c1-14-12-16(21-17(20-14)24-6-4-22(3)5-7-24)23-8-10-25(11-9-23)18-19-13-15(2)26-18/h12-13H,4-11H2,1-3H3
InChIKeyRDYRFPYDYYMCSQ-UHFFFAOYSA-N
XLogP1.63
TPSA51.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.53
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-methyl-2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-1,3-thiazole with MolForge

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Related Compounds

4-methyl-6-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpyrimidine
CID 99980092
6-chloro-2-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]quinoxaline
CID 166601988
6-chloro-2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]quinoxaline
CID 166601989
4-methyl-6-(4-methylpiperazin-1-yl)-2-(4-propylsulfonylpiperazin-1-yl)pyrimidine
CID 27637479
4-methyl-6-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
CID 155799816
3-methyl-5-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-1,2,4-thiadiazole
CID 163345429
(5-bromo-3-pyridinyl)-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 122333753
2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]benzonitrile
CID 171334663
5-methyl-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 139474272
2-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
CID 44826825
5-fluoro-2-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]benzonitrile
CID 171334702
4-(2-ethylpiperidin-1-yl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine
CID 112914013

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 5-methyl-2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-1,3-thiazole (CID 165433029) is 5-methyl-2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 5-methyl-2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-1,3-thiazole is Cc1cc(N2CCN(c3ncc(C)s3)CC2)nc(N2CCN(C)CC2)n1.
What is the InChIKey of 5-methyl-2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-1,3-thiazole?
The InChIKey is RDYRFPYDYYMCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7S/c1-14-12-16(21-17(20-14)24-6-4-22(3)5-7-24)23-8-10-25(11-9-23)18-19-13-15(2)26-18/h12-13H,4-11H2,1-3H3.
What are the key properties of 5-methyl-2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-1,3-thiazole?
5-methyl-2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-1,3-thiazole has a molecular weight of 373.53 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 165433029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).