2-methyl-6-(4-methylpiperazin-1-yl)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyrimidin-4-amine

C26H28N6S — CID 108775792

IUPAC2-methyl-6-(4-methylpiperazin-1-yl)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyrimidin-4-amine
SMILESCc1nc(NCc2cccc(-c3nc(-c4ccccc4)cs3)c2)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C26H28N6S/c1-19-28-24(16-25(29-19)32-13-11-31(2)12-14-32)27-17-20-7-6-10-22(15-20)26-30-23(18-33-26)21-8-4-3-5-9-21/h3-10,15-16,18H,11-14,17H2,1-2H3,(H,27,28,29)
InChIKeyIMFYMSCLFZBDPX-UHFFFAOYSA-N
MW456.62 g/mol
LogP4.94
Rot. Bonds6

About 2-methyl-6-(4-methylpiperazin-1-yl)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyrimidin-4-amine

2-methyl-6-(4-methylpiperazin-1-yl)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 108775792) has the molecular formula C26H28N6S and a molecular weight of 456.62 g/mol. Its IUPAC name is 2-methyl-6-(4-methylpiperazin-1-yl)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-(4-methylpiperazin-1-yl)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyrimidin-4-amine
PubChem CID108775792
Molecular FormulaC26H28N6S
Molecular Weight456.62 g/mol
Exact Mass456.21
IUPAC Name2-methyl-6-(4-methylpiperazin-1-yl)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyrimidin-4-amine
SMILESCc1nc(NCc2cccc(-c3nc(-c4ccccc4)cs3)c2)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C26H28N6S/c1-19-28-24(16-25(29-19)32-13-11-31(2)12-14-32)27-17-20-7-6-10-22(15-20)26-30-23(18-33-26)21-8-4-3-5-9-21/h3-10,15-16,18H,11-14,17H2,1-2H3,(H,27,28,29)
InChIKeyIMFYMSCLFZBDPX-UHFFFAOYSA-N
XLogP4.94
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.62
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 108775748
2-methyl-6-(4-methylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112870708
N-benzyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936341
N-benzyl-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112871532
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112870727
4-[2-methyl-6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112870995
6-(4-methylpiperazin-1-yl)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 112880940
N-[(4-methoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine
CID 112880936
N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]methanesulfonamide
CID 108782467
N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936254
N-[(2-chlorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine
CID 112880933
N-benzyl-2-methyl-6-phenylpyrimidin-4-amine
CID 16957885

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methylpiperazin-1-yl)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-(4-methylpiperazin-1-yl)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyrimidin-4-amine (CID 108775792) is 2-methyl-6-(4-methylpiperazin-1-yl)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-(4-methylpiperazin-1-yl)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-(4-methylpiperazin-1-yl)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyrimidin-4-amine is Cc1nc(NCc2cccc(-c3nc(-c4ccccc4)cs3)c2)cc(N2CCN(C)CC2)n1.
What is the InChIKey of 2-methyl-6-(4-methylpiperazin-1-yl)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is IMFYMSCLFZBDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6S/c1-19-28-24(16-25(29-19)32-13-11-31(2)12-14-32)27-17-20-7-6-10-22(15-20)26-30-23(18-33-26)21-8-4-3-5-9-21/h3-10,15-16,18H,11-14,17H2,1-2H3,(H,27,28,29).
What are the key properties of 2-methyl-6-(4-methylpiperazin-1-yl)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyrimidin-4-amine?
2-methyl-6-(4-methylpiperazin-1-yl)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 456.62 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methylpiperazin-1-yl)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 108775792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).