(2-amino-6-methylpyrimidin-4-yl)-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone

C21H22N6O2 — CID 95823181

IUPAC(2-amino-6-methylpyrimidin-4-yl)-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC[C@@H](c3cncc(Oc4ccccc4)n3)C2)nc(N)n1
InChIInChI=1S/C21H22N6O2/c1-14-10-17(26-21(22)24-14)20(28)27-9-5-6-15(13-27)18-11-23-12-19(25-18)29-16-7-3-2-4-8-16/h2-4,7-8,10-12,15H,5-6,9,13H2,1H3,(H2,22,24,26)/t15-/m1/s1
InChIKeyPYWMHCBQTBIESW-OAHLLOKOSA-N
MW390.45 g/mol
LogP2.97
Rot. Bonds4

About (2-amino-6-methylpyrimidin-4-yl)-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone

(2-amino-6-methylpyrimidin-4-yl)-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone (PubChem CID 95823181) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is (2-amino-6-methylpyrimidin-4-yl)-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-6-methylpyrimidin-4-yl)-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
PubChem CID95823181
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name(2-amino-6-methylpyrimidin-4-yl)-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC[C@@H](c3cncc(Oc4ccccc4)n3)C2)nc(N)n1
InChIInChI=1S/C21H22N6O2/c1-14-10-17(26-21(22)24-14)20(28)27-9-5-6-15(13-27)18-11-23-12-19(25-18)29-16-7-3-2-4-8-16/h2-4,7-8,10-12,15H,5-6,9,13H2,1H3,(H2,22,24,26)/t15-/m1/s1
InChIKeyPYWMHCBQTBIESW-OAHLLOKOSA-N
XLogP2.97
TPSA107.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2-amino-6-methylpyrimidin-4-yl)-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 110150050
(6-methyl-2-pyridinyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 124990884
[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridazin-3-ylmethanone
CID 124978644
2-methyl-6-[3-(6-phenoxypyrazin-2-yl)piperidine-1-carbonyl]pyridazin-3-one
CID 110256592
(4-methyl-1,3-oxazol-5-yl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 124989570
(2-amino-6-methylpyrimidin-4-yl)-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110091898
[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 110256743
N-[2-oxo-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]ethyl]methanesulfonamide
CID 110256642
[(3R)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822300
[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822301
oxan-4-yl-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 95823108
[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 110148953

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methylpyrimidin-4-yl)-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-amino-6-methylpyrimidin-4-yl)-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone (CID 95823181) is (2-amino-6-methylpyrimidin-4-yl)-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-6-methylpyrimidin-4-yl)-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-amino-6-methylpyrimidin-4-yl)-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCC[C@@H](c3cncc(Oc4ccccc4)n3)C2)nc(N)n1.
What is the InChIKey of (2-amino-6-methylpyrimidin-4-yl)-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone?
The InChIKey is PYWMHCBQTBIESW-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-14-10-17(26-21(22)24-14)20(28)27-9-5-6-15(13-27)18-11-23-12-19(25-18)29-16-7-3-2-4-8-16/h2-4,7-8,10-12,15H,5-6,9,13H2,1H3,(H2,22,24,26)/t15-/m1/s1.
What are the key properties of (2-amino-6-methylpyrimidin-4-yl)-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone?
(2-amino-6-methylpyrimidin-4-yl)-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone has a molecular weight of 390.45 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-methylpyrimidin-4-yl)-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95823181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).