4-methyl-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-6-phenoxypyrimidine

C21H27N3O3 — CID 154844888

IUPAC4-methyl-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-6-phenoxypyrimidine
SMILESCc1cc(Oc2ccccc2)nc(N2CCC(OCC3CCCO3)CC2)n1
InChIInChI=1S/C21H27N3O3/c1-16-14-20(27-18-6-3-2-4-7-18)23-21(22-16)24-11-9-17(10-12-24)26-15-19-8-5-13-25-19/h2-4,6-7,14,17,19H,5,8-13,15H2,1H3
InChIKeyYGTPKFJRGIUZSV-UHFFFAOYSA-N
MW369.46 g/mol
LogP3.74
Rot. Bonds6

About 4-methyl-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-6-phenoxypyrimidine

4-methyl-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-6-phenoxypyrimidine (PubChem CID 154844888) has the molecular formula C21H27N3O3 and a molecular weight of 369.46 g/mol. Its IUPAC name is 4-methyl-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-6-phenoxypyrimidine.

Molecular Properties

Compound Name4-methyl-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-6-phenoxypyrimidine
PubChem CID154844888
Molecular FormulaC21H27N3O3
Molecular Weight369.46 g/mol
Exact Mass369.21
IUPAC Name4-methyl-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-6-phenoxypyrimidine
SMILESCc1cc(Oc2ccccc2)nc(N2CCC(OCC3CCCO3)CC2)n1
InChIInChI=1S/C21H27N3O3/c1-16-14-20(27-18-6-3-2-4-7-18)23-21(22-16)24-11-9-17(10-12-24)26-15-19-8-5-13-25-19/h2-4,6-7,14,17,19H,5,8-13,15H2,1H3
InChIKeyYGTPKFJRGIUZSV-UHFFFAOYSA-N
XLogP3.74
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-6-phenoxy-2-[3-(pyridin-3-ylmethoxy)pyrrolidin-1-yl]pyrimidine
CID 154844891
4-[6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]oxybenzoic acid
CID 71563644
1-(4-methyl-6-phenoxypyrimidin-2-yl)-3-(oxolan-2-ylmethyl)thiourea
CID 133254538
1-(4-methyl-6-phenoxypyrimidin-2-yl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 100778338
2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-3H-quinazolin-4-one
CID 136790933
1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
CID 95291866
(2,6-dimethyl-3-pyridinyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone
CID 154794617
5-[[4-(4-methyl-6-phenoxypyrimidin-2-yl)piperazin-1-yl]methyl]pyridine-3-carbonitrile
CID 154871336
1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95308710
6-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]pyridazine-3-carbonitrile
CID 133419117
2-cyclohexyloxy-6-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]pyrazine
CID 133485842
3-methyl-6-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 97009492

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-6-phenoxypyrimidine?
The IUPAC name of 4-methyl-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-6-phenoxypyrimidine (CID 154844888) is 4-methyl-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-6-phenoxypyrimidine.
What is the SMILES notation for 4-methyl-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-6-phenoxypyrimidine?
The canonical SMILES for 4-methyl-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-6-phenoxypyrimidine is Cc1cc(Oc2ccccc2)nc(N2CCC(OCC3CCCO3)CC2)n1.
What is the InChIKey of 4-methyl-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-6-phenoxypyrimidine?
The InChIKey is YGTPKFJRGIUZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-16-14-20(27-18-6-3-2-4-7-18)23-21(22-16)24-11-9-17(10-12-24)26-15-19-8-5-13-25-19/h2-4,6-7,14,17,19H,5,8-13,15H2,1H3.
What are the key properties of 4-methyl-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-6-phenoxypyrimidine?
4-methyl-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-6-phenoxypyrimidine has a molecular weight of 369.46 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-6-phenoxypyrimidine is sourced from PubChem (CID 154844888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).