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

C17H23N5O2 — CID 25131230

IUPAC4-(2,6-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCOc1cccc(OC)c1-c1cc(N2CCN(C)CC2)nc(N)n1
InChIInChI=1S/C17H23N5O2/c1-21-7-9-22(10-8-21)15-11-12(19-17(18)20-15)16-13(23-2)5-4-6-14(16)24-3/h4-6,11H,7-10H2,1-3H3,(H2,18,19,20)
InChIKeyZZZTWOYMZWGFCS-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.49
Rot. Bonds4

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

4-(2,6-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 25131230) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-(2,6-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,6-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID25131230
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name4-(2,6-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCOc1cccc(OC)c1-c1cc(N2CCN(C)CC2)nc(N)n1
InChIInChI=1S/C17H23N5O2/c1-21-7-9-22(10-8-21)15-11-12(19-17(18)20-15)16-13(23-2)5-4-6-14(16)24-3/h4-6,11H,7-10H2,1-3H3,(H2,18,19,20)
InChIKeyZZZTWOYMZWGFCS-UHFFFAOYSA-N
XLogP1.49
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-(2,6-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 25131230) is 4-(2,6-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,6-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(2,6-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is COc1cccc(OC)c1-c1cc(N2CCN(C)CC2)nc(N)n1.
What is the InChIKey of 4-(2,6-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is ZZZTWOYMZWGFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-21-7-9-22(10-8-21)15-11-12(19-17(18)20-15)16-13(23-2)5-4-6-14(16)24-3/h4-6,11H,7-10H2,1-3H3,(H2,18,19,20).
What are the key properties of 4-(2,6-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
4-(2,6-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 329.40 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 25131230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).