[4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone

C22H23N5O2 — CID 95822714

IUPAC[4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCC(c3nc(C)cc(Oc4ccccc4)n3)CC2)cn1
InChIInChI=1S/C22H23N5O2/c1-15-12-20(29-18-6-4-3-5-7-18)26-21(25-15)17-8-10-27(11-9-17)22(28)19-14-23-16(2)13-24-19/h3-7,12-14,17H,8-11H2,1-2H3
InChIKeyMTCQVTTVQMWZLN-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.70
Rot. Bonds4

About [4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone

[4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 95822714) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is [4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID95822714
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name[4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCC(c3nc(C)cc(Oc4ccccc4)n3)CC2)cn1
InChIInChI=1S/C22H23N5O2/c1-15-12-20(29-18-6-4-3-5-7-18)26-21(25-15)17-8-10-27(11-9-17)22(28)19-14-23-16(2)13-24-19/h3-7,12-14,17H,8-11H2,1-2H3
InChIKeyMTCQVTTVQMWZLN-UHFFFAOYSA-N
XLogP3.70
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-2-methyl-1-[4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]propan-1-one
CID 95823280
1-[3-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]ethanone
CID 110256190
[2-(imidazol-1-ylmethyl)phenyl]-[4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]methanone
CID 129455506
[3-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110270342
[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-phenylmethanone
CID 38175380
(5-methylpyrazin-2-yl)-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 175652427
1-[3-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 110270128
[(2R)-2-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 95843599
[(3S)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 95844319
cyclopropyl-[(3S)-3-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]methanone
CID 95822246
[4-(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95799192
[(3S)-3-[4-(4-methoxyanilino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124971390

Frequently Asked Questions

What is the IUPAC name of [4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone (CID 95822714) is [4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CCC(c3nc(C)cc(Oc4ccccc4)n3)CC2)cn1.
What is the InChIKey of [4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is MTCQVTTVQMWZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-15-12-20(29-18-6-4-3-5-7-18)26-21(25-15)17-8-10-27(11-9-17)22(28)19-14-23-16(2)13-24-19/h3-7,12-14,17H,8-11H2,1-2H3.
What are the key properties of [4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
[4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 389.46 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 95822714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).