3,5-dimethyl-4-[4-methyl-6-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-2-yl]pyrimidin-2-yl]-1,2-oxazole

C21H26N6O — CID 110129576

IUPAC3,5-dimethyl-4-[4-methyl-6-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-2-yl]pyrimidin-2-yl]-1,2-oxazole
SMILESCc1cnc(CN2CCCCC2c2cc(C)nc(-c3c(C)noc3C)n2)cn1
InChIInChI=1S/C21H26N6O/c1-13-9-18(25-21(24-13)20-15(3)26-28-16(20)4)19-7-5-6-8-27(19)12-17-11-22-14(2)10-23-17/h9-11,19H,5-8,12H2,1-4H3
InChIKeyBSJPCZIEBCLOJV-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.88
Rot. Bonds4

About 3,5-dimethyl-4-[4-methyl-6-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-2-yl]pyrimidin-2-yl]-1,2-oxazole

3,5-dimethyl-4-[4-methyl-6-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-2-yl]pyrimidin-2-yl]-1,2-oxazole (PubChem CID 110129576) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 3,5-dimethyl-4-[4-methyl-6-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-2-yl]pyrimidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[4-methyl-6-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-2-yl]pyrimidin-2-yl]-1,2-oxazole
PubChem CID110129576
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name3,5-dimethyl-4-[4-methyl-6-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-2-yl]pyrimidin-2-yl]-1,2-oxazole
SMILESCc1cnc(CN2CCCCC2c2cc(C)nc(-c3c(C)noc3C)n2)cn1
InChIInChI=1S/C21H26N6O/c1-13-9-18(25-21(24-13)20-15(3)26-28-16(20)4)19-7-5-6-8-27(19)12-17-11-22-14(2)10-23-17/h9-11,19H,5-8,12H2,1-4H3
InChIKeyBSJPCZIEBCLOJV-UHFFFAOYSA-N
XLogP3.88
TPSA80.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[4-methyl-6-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-2-yl]pyrimidin-2-yl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[4-methyl-6-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-2-yl]pyrimidin-2-yl]-1,2-oxazole (CID 110129576) is 3,5-dimethyl-4-[4-methyl-6-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-2-yl]pyrimidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[4-methyl-6-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-2-yl]pyrimidin-2-yl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[4-methyl-6-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-2-yl]pyrimidin-2-yl]-1,2-oxazole is Cc1cnc(CN2CCCCC2c2cc(C)nc(-c3c(C)noc3C)n2)cn1.
What is the InChIKey of 3,5-dimethyl-4-[4-methyl-6-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-2-yl]pyrimidin-2-yl]-1,2-oxazole?
The InChIKey is BSJPCZIEBCLOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-13-9-18(25-21(24-13)20-15(3)26-28-16(20)4)19-7-5-6-8-27(19)12-17-11-22-14(2)10-23-17/h9-11,19H,5-8,12H2,1-4H3.
What are the key properties of 3,5-dimethyl-4-[4-methyl-6-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-2-yl]pyrimidin-2-yl]-1,2-oxazole?
3,5-dimethyl-4-[4-methyl-6-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-2-yl]pyrimidin-2-yl]-1,2-oxazole has a molecular weight of 378.48 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[4-methyl-6-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-2-yl]pyrimidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 110129576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).