[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone

C16H20N6O2 — CID 126887972

IUPAC[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCOc1cc(NC2CCN(C(=O)c3cnc(C)cn3)CC2)ncn1
InChIInChI=1S/C16H20N6O2/c1-11-8-18-13(9-17-11)16(23)22-5-3-12(4-6-22)21-14-7-15(24-2)20-10-19-14/h7-10,12H,3-6H2,1-2H3,(H,19,20,21)
InChIKeyPVJIAVZLXUNOPZ-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.30
Rot. Bonds4

About [4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone

[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 126887972) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is [4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID126887972
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCOc1cc(NC2CCN(C(=O)c3cnc(C)cn3)CC2)ncn1
InChIInChI=1S/C16H20N6O2/c1-11-8-18-13(9-17-11)16(23)22-5-3-12(4-6-22)21-14-7-15(24-2)20-10-19-14/h7-10,12H,3-6H2,1-2H3,(H,19,20,21)
InChIKeyPVJIAVZLXUNOPZ-UHFFFAOYSA-N
XLogP1.30
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone (CID 126887972) is [4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone is COc1cc(NC2CCN(C(=O)c3cnc(C)cn3)CC2)ncn1.
What is the InChIKey of [4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is PVJIAVZLXUNOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-11-8-18-13(9-17-11)16(23)22-5-3-12(4-6-22)21-14-7-15(24-2)20-10-19-14/h7-10,12H,3-6H2,1-2H3,(H,19,20,21).
What are the key properties of [4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 328.38 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 126887972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).