5-methyl-2-[1-[(5-methylpyrimidin-2-yl)methyl]piperidin-4-yl]oxypyrimidine

C16H21N5O — CID 136551058

IUPAC5-methyl-2-[1-[(5-methylpyrimidin-2-yl)methyl]piperidin-4-yl]oxypyrimidine
SMILESCc1cnc(CN2CCC(Oc3ncc(C)cn3)CC2)nc1
InChIInChI=1S/C16H21N5O/c1-12-7-17-15(18-8-12)11-21-5-3-14(4-6-21)22-16-19-9-13(2)10-20-16/h7-10,14H,3-6,11H2,1-2H3
InChIKeySUPATVJZOGSFQA-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.93
Rot. Bonds4

About 5-methyl-2-[1-[(5-methylpyrimidin-2-yl)methyl]piperidin-4-yl]oxypyrimidine

5-methyl-2-[1-[(5-methylpyrimidin-2-yl)methyl]piperidin-4-yl]oxypyrimidine (PubChem CID 136551058) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 5-methyl-2-[1-[(5-methylpyrimidin-2-yl)methyl]piperidin-4-yl]oxypyrimidine.

Molecular Properties

Compound Name5-methyl-2-[1-[(5-methylpyrimidin-2-yl)methyl]piperidin-4-yl]oxypyrimidine
PubChem CID136551058
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name5-methyl-2-[1-[(5-methylpyrimidin-2-yl)methyl]piperidin-4-yl]oxypyrimidine
SMILESCc1cnc(CN2CCC(Oc3ncc(C)cn3)CC2)nc1
InChIInChI=1S/C16H21N5O/c1-12-7-17-15(18-8-12)11-21-5-3-14(4-6-21)22-16-19-9-13(2)10-20-16/h7-10,14H,3-6,11H2,1-2H3
InChIKeySUPATVJZOGSFQA-UHFFFAOYSA-N
XLogP1.93
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-Methylpyrimidin-2-YL)-2-(piperidin-1-ylmethyl)-1,4-oxazepane
CID 72848462
5-[[4-(2-Methoxyethyl)piperazin-1-yl]methyl]-2-methylpyrimidine
CID 73440651
2-Ethyl-5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]pyrimidine
CID 95857239
5-[[4-(2-Methoxyethyl)piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine
CID 95857248
2-(4-{[1-(2-Methoxyethyl)piperidin-4-YL]methyl}piperazin-1-YL)-5-methylpyrimidin-4-amine
CID 56716702
1-[4-(Dimethylamino)-5-methyl-2-pyrimidinyl]-4-piperidinol
CID 39830890
5-Ethyl-2-methyl-4-[4-(pyrimidin-2-yloxy)piperidin-1-YL]pyrimidine
CID 50955922
5-[[2-Methyl-4-[(4-methylmorpholin-2-yl)methyl]piperazin-1-yl]methyl]pyrimidine-2,4-diamine
CID 132363955
[(2R)-1,4-bis[(2-methylpyrimidin-5-yl)methyl]piperazin-2-yl]methanol
CID 164638462
5-Fluoro-2-[4-[1-[(1-methylazetidin-3-yl)methyl]piperidin-4-yl]oxypiperidin-1-yl]pyrimidine
CID 59506086
2-[1-(5,6-Difluoropyrimidin-4-yl)piperidin-4-yl]oxy-5-fluoropyrimidin-4-amine
CID 59744052
2-[(2R)-2-(2-fluoroethoxymethyl)-4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazine
CID 176556477

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[1-[(5-methylpyrimidin-2-yl)methyl]piperidin-4-yl]oxypyrimidine?
The IUPAC name of 5-methyl-2-[1-[(5-methylpyrimidin-2-yl)methyl]piperidin-4-yl]oxypyrimidine (CID 136551058) is 5-methyl-2-[1-[(5-methylpyrimidin-2-yl)methyl]piperidin-4-yl]oxypyrimidine.
What is the SMILES notation for 5-methyl-2-[1-[(5-methylpyrimidin-2-yl)methyl]piperidin-4-yl]oxypyrimidine?
The canonical SMILES for 5-methyl-2-[1-[(5-methylpyrimidin-2-yl)methyl]piperidin-4-yl]oxypyrimidine is Cc1cnc(CN2CCC(Oc3ncc(C)cn3)CC2)nc1.
What is the InChIKey of 5-methyl-2-[1-[(5-methylpyrimidin-2-yl)methyl]piperidin-4-yl]oxypyrimidine?
The InChIKey is SUPATVJZOGSFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-12-7-17-15(18-8-12)11-21-5-3-14(4-6-21)22-16-19-9-13(2)10-20-16/h7-10,14H,3-6,11H2,1-2H3.
What are the key properties of 5-methyl-2-[1-[(5-methylpyrimidin-2-yl)methyl]piperidin-4-yl]oxypyrimidine?
5-methyl-2-[1-[(5-methylpyrimidin-2-yl)methyl]piperidin-4-yl]oxypyrimidine has a molecular weight of 299.38 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[1-[(5-methylpyrimidin-2-yl)methyl]piperidin-4-yl]oxypyrimidine is sourced from PubChem (CID 136551058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).