4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidin-2-amine

C15H19N5O — CID 117211251

IUPAC4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidin-2-amine
SMILESCOc1ccccc1-c1nc(N)ncc1N1CCNCC1
InChIInChI=1S/C15H19N5O/c1-21-13-5-3-2-4-11(13)14-12(10-18-15(16)19-14)20-8-6-17-7-9-20/h2-5,10,17H,6-9H2,1H3,(H2,16,18,19)
InChIKeyVOPIQOCOHOXVMC-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.14
Rot. Bonds3

About 4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidin-2-amine

4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidin-2-amine (PubChem CID 117211251) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidin-2-amine
PubChem CID117211251
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidin-2-amine
SMILESCOc1ccccc1-c1nc(N)ncc1N1CCNCC1
InChIInChI=1S/C15H19N5O/c1-21-13-5-3-2-4-11(13)14-12(10-18-15(16)19-14)20-8-6-17-7-9-20/h2-5,10,17H,6-9H2,1H3,(H2,16,18,19)
InChIKeyVOPIQOCOHOXVMC-UHFFFAOYSA-N
XLogP1.14
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidin-2-amine?
The IUPAC name of 4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidin-2-amine (CID 117211251) is 4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidin-2-amine?
The canonical SMILES for 4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidin-2-amine is COc1ccccc1-c1nc(N)ncc1N1CCNCC1.
What is the InChIKey of 4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidin-2-amine?
The InChIKey is VOPIQOCOHOXVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-21-13-5-3-2-4-11(13)14-12(10-18-15(16)19-14)20-8-6-17-7-9-20/h2-5,10,17H,6-9H2,1H3,(H2,16,18,19).
What are the key properties of 4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidin-2-amine?
4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidin-2-amine has a molecular weight of 285.35 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 117211251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).