[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

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

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Related Compounds

[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 126887928
(5-tert-butyl-1H-pyrazol-3-yl)-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126888003
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887938
(5-methylpyrazin-2-yl)-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone
CID 56778576
N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 126888037
[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 100633213
(5-methylpyrazin-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121162110
N-[(4-fluorophenyl)methyl]-4-[(6-methoxypyrimidin-4-yl)amino]piperidine-1-carboxamide
CID 171336207
3,4-dihydro-1H-isochromen-1-yl-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887984
(3-methoxy-1-methylpyrazol-4-yl)-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887501
6-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-4-amine
CID 126888036
1H-imidazol-5-yl-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887552

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).