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

C27H30N6S — CID 108775748

IUPAC2-methyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1ccc(-c2csc(-c3ccc(CNc4cc(N5CCN(C)CC5)nc(C)n4)cc3)n2)cc1
InChIInChI=1S/C27H30N6S/c1-19-4-8-22(9-5-19)24-18-34-27(31-24)23-10-6-21(7-11-23)17-28-25-16-26(30-20(2)29-25)33-14-12-32(3)13-15-33/h4-11,16,18H,12-15,17H2,1-3H3,(H,28,29,30)
InChIKeyRNHPAADIJXCWPQ-UHFFFAOYSA-N
MW470.65 g/mol
LogP5.25
Rot. Bonds6

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

2-methyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 108775748) has the molecular formula C27H30N6S and a molecular weight of 470.65 g/mol. Its IUPAC name is 2-methyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID108775748
Molecular FormulaC27H30N6S
Molecular Weight470.65 g/mol
Exact Mass470.23
IUPAC Name2-methyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1ccc(-c2csc(-c3ccc(CNc4cc(N5CCN(C)CC5)nc(C)n4)cc3)n2)cc1
InChIInChI=1S/C27H30N6S/c1-19-4-8-22(9-5-19)24-18-34-27(31-24)23-10-6-21(7-11-23)17-28-25-16-26(30-20(2)29-25)33-14-12-32(3)13-15-33/h4-11,16,18H,12-15,17H2,1-3H3,(H,28,29,30)
InChIKeyRNHPAADIJXCWPQ-UHFFFAOYSA-N
XLogP5.25
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.65
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-6-(4-methylpiperazin-1-yl)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyrimidin-4-amine
CID 108775792
N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936254
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112870727
2-chloro-6-methyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]pyrimidin-4-amine
CID 108775751
2-methyl-6-(4-methylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112870708
4-methyl-N-[(4-methylphenyl)methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112913782
6-methyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]pyrimidin-4-amine
CID 108775741
N-[(4-chlorophenyl)methyl]-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868436
N-benzyl-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112871532
N-[(4-methoxyphenyl)methyl]-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112872910
N-[(4-methoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine
CID 112880936
2-methyl-6-(4-methylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 80766705

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine (CID 108775748) is 2-methyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine is Cc1ccc(-c2csc(-c3ccc(CNc4cc(N5CCN(C)CC5)nc(C)n4)cc3)n2)cc1.
What is the InChIKey of 2-methyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is RNHPAADIJXCWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6S/c1-19-4-8-22(9-5-19)24-18-34-27(31-24)23-10-6-21(7-11-23)17-28-25-16-26(30-20(2)29-25)33-14-12-32(3)13-15-33/h4-11,16,18H,12-15,17H2,1-3H3,(H,28,29,30).
What are the key properties of 2-methyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
2-methyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 470.65 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 108775748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).