N-(2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine

C17H23N5O2 — CID 99968422

IUPACN-(2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCOc1ccc(OC)c(Nc2cc(N3CCN(C)CC3)ncn2)c1
InChIInChI=1S/C17H23N5O2/c1-21-6-8-22(9-7-21)17-11-16(18-12-19-17)20-14-10-13(23-2)4-5-15(14)24-3/h4-5,10-12H,6-9H2,1-3H3,(H,18,19,20)
InChIKeyAYCDGBDFUZOUOZ-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.99
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine

N-(2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 99968422) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID99968422
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-(2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCOc1ccc(OC)c(Nc2cc(N3CCN(C)CC3)ncn2)c1
InChIInChI=1S/C17H23N5O2/c1-21-6-8-22(9-7-21)17-11-16(18-12-19-17)20-14-10-13(23-2)4-5-15(14)24-3/h4-5,10-12H,6-9H2,1-3H3,(H,18,19,20)
InChIKeyAYCDGBDFUZOUOZ-UHFFFAOYSA-N
XLogP1.99
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-dimethoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112857127
N-(2,4-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856463
N-(3-chloro-4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 99968425
4-[6-(2,4-dimethoxyanilino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858317
N-(2,5-dimethoxyphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112914067
N-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112946068
6-(4-methylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)pyrimidin-4-amine
CID 99968435
1-[4-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112858485
4-[6-(5-chloro-2-methoxyanilino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858305
N-(2-methoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112857120
6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine
CID 112864698
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)pyrimidin-4-amine
CID 112862333

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine (CID 99968422) is N-(2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine is COc1ccc(OC)c(Nc2cc(N3CCN(C)CC3)ncn2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is AYCDGBDFUZOUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-21-6-8-22(9-7-21)17-11-16(18-12-19-17)20-14-10-13(23-2)4-5-15(14)24-3/h4-5,10-12H,6-9H2,1-3H3,(H,18,19,20).
What are the key properties of N-(2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
N-(2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 329.40 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 99968422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).