4-(4-methoxy-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

C15H20N6O — CID 25129883

IUPAC4-(4-methoxy-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCOc1ccncc1-c1cc(N2CCN(C)CC2)nc(N)n1
InChIInChI=1S/C15H20N6O/c1-20-5-7-21(8-6-20)14-9-12(18-15(16)19-14)11-10-17-4-3-13(11)22-2/h3-4,9-10H,5-8H2,1-2H3,(H2,16,18,19)
InChIKeyAHFXPIPYJSEMLQ-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.88
Rot. Bonds3

About 4-(4-methoxy-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

4-(4-methoxy-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 25129883) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 4-(4-methoxy-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methoxy-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID25129883
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name4-(4-methoxy-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCOc1ccncc1-c1cc(N2CCN(C)CC2)nc(N)n1
InChIInChI=1S/C15H20N6O/c1-20-5-7-21(8-6-20)14-9-12(18-15(16)19-14)11-10-17-4-3-13(11)22-2/h3-4,9-10H,5-8H2,1-2H3,(H2,16,18,19)
InChIKeyAHFXPIPYJSEMLQ-UHFFFAOYSA-N
XLogP0.88
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-(4-methoxy-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 25129883) is 4-(4-methoxy-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-methoxy-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-methoxy-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is COc1ccncc1-c1cc(N2CCN(C)CC2)nc(N)n1.
What is the InChIKey of 4-(4-methoxy-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is AHFXPIPYJSEMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-20-5-7-21(8-6-20)14-9-12(18-15(16)19-14)11-10-17-4-3-13(11)22-2/h3-4,9-10H,5-8H2,1-2H3,(H2,16,18,19).
What are the key properties of 4-(4-methoxy-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
4-(4-methoxy-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 300.37 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 25129883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).