2,4-dimethyl-6-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine

C16H21N5O — CID 172899637

IUPAC2,4-dimethyl-6-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine
SMILESCc1cnc(OC2CCCN(c3cc(C)nc(C)n3)C2)nc1
InChIInChI=1S/C16H21N5O/c1-11-8-17-16(18-9-11)22-14-5-4-6-21(10-14)15-7-12(2)19-13(3)20-15/h7-9,14H,4-6,10H2,1-3H3
InChIKeyDBCAUVXGSPFNQM-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.24
Rot. Bonds3

About 2,4-dimethyl-6-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine

2,4-dimethyl-6-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine (PubChem CID 172899637) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 2,4-dimethyl-6-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2,4-dimethyl-6-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine
PubChem CID172899637
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name2,4-dimethyl-6-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine
SMILESCc1cnc(OC2CCCN(c3cc(C)nc(C)n3)C2)nc1
InChIInChI=1S/C16H21N5O/c1-11-8-17-16(18-9-11)22-14-5-4-6-21(10-14)15-7-12(2)19-13(3)20-15/h7-9,14H,4-6,10H2,1-3H3
InChIKeyDBCAUVXGSPFNQM-UHFFFAOYSA-N
XLogP2.24
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]oxy-5-methylpyrimidine
CID 172900064
1-(2,6-dimethylpyrimidin-4-yl)-N-methylpiperidin-3-amine
CID 62547071
5-bromo-4-methoxy-2-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine
CID 172901093
2,5-dimethyl-3-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyrazine
CID 171701875
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethanone
CID 63846335
6-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyridine-3-carbonitrile
CID 171701989
2-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]quinoline
CID 171702682
[(3R)-1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl] 3-(1-methylpyrazol-4-yl)propanoate
CID 95174688
2-cyclopropyl-4-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrazolo[1,5-a]pyrazine
CID 172903501
4-[3-(2-chloroethyl)piperidin-1-yl]-2,6-dimethylpyrimidine
CID 55185138
4-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-2,6-dimethylpyrimidine
CID 133406433
[(3S)-1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl] 3,6-dihydro-2H-pyran-4-carboxylate
CID 99785004

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine?
The IUPAC name of 2,4-dimethyl-6-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine (CID 172899637) is 2,4-dimethyl-6-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine.
What is the SMILES notation for 2,4-dimethyl-6-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine?
The canonical SMILES for 2,4-dimethyl-6-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine is Cc1cnc(OC2CCCN(c3cc(C)nc(C)n3)C2)nc1.
What is the InChIKey of 2,4-dimethyl-6-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine?
The InChIKey is DBCAUVXGSPFNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-11-8-17-16(18-9-11)22-14-5-4-6-21(10-14)15-7-12(2)19-13(3)20-15/h7-9,14H,4-6,10H2,1-3H3.
What are the key properties of 2,4-dimethyl-6-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine?
2,4-dimethyl-6-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine has a molecular weight of 299.38 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine is sourced from PubChem (CID 172899637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).