2-methyl-4-(oxolan-3-yl)-6-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine

C18H23N5O2 — CID 119059136

IUPAC2-methyl-4-(oxolan-3-yl)-6-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine
SMILESCc1nc(C2CCOC2)cc(N2CCC(Oc3ncccn3)CC2)n1
InChIInChI=1S/C18H23N5O2/c1-13-21-16(14-5-10-24-12-14)11-17(22-13)23-8-3-15(4-9-23)25-18-19-6-2-7-20-18/h2,6-7,11,14-15H,3-5,8-10,12H2,1H3
InChIKeyMXAKPOQKCFWWNO-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.13
Rot. Bonds4

About 2-methyl-4-(oxolan-3-yl)-6-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine

2-methyl-4-(oxolan-3-yl)-6-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine (PubChem CID 119059136) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-methyl-4-(oxolan-3-yl)-6-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(oxolan-3-yl)-6-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine
PubChem CID119059136
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name2-methyl-4-(oxolan-3-yl)-6-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine
SMILESCc1nc(C2CCOC2)cc(N2CCC(Oc3ncccn3)CC2)n1
InChIInChI=1S/C18H23N5O2/c1-13-21-16(14-5-10-24-12-14)11-17(22-13)23-8-3-15(4-9-23)25-18-19-6-2-7-20-18/h2,6-7,11,14-15H,3-5,8-10,12H2,1H3
InChIKeyMXAKPOQKCFWWNO-UHFFFAOYSA-N
XLogP2.13
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-4-[(3S)-oxolan-3-yl]-6-(4-phenylmethoxypiperidin-1-yl)pyrimidine
CID 126439671
[1-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanamine
CID 119065215
1-[4-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 126430096
1-[2-methyl-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]-1,4-diazepane
CID 126440152
4-[4-(4-methylphenoxy)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine
CID 126436493
2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 126448608
2-methyl-5-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrazine
CID 123758655
1-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 126446357
4-[2-(dimethylamino)ethyl]-1-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]-1,4-diazepan-5-one
CID 119071248
4-methyl-2-(4-pyrimidin-2-yloxypiperidin-1-yl)-1,3-thiazole
CID 70955018
4-(azocan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine
CID 119059512
2-[[4-(4-ethoxypiperidin-1-yl)-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126446709

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(oxolan-3-yl)-6-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine?
The IUPAC name of 2-methyl-4-(oxolan-3-yl)-6-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine (CID 119059136) is 2-methyl-4-(oxolan-3-yl)-6-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine.
What is the SMILES notation for 2-methyl-4-(oxolan-3-yl)-6-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine?
The canonical SMILES for 2-methyl-4-(oxolan-3-yl)-6-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine is Cc1nc(C2CCOC2)cc(N2CCC(Oc3ncccn3)CC2)n1.
What is the InChIKey of 2-methyl-4-(oxolan-3-yl)-6-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine?
The InChIKey is MXAKPOQKCFWWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13-21-16(14-5-10-24-12-14)11-17(22-13)23-8-3-15(4-9-23)25-18-19-6-2-7-20-18/h2,6-7,11,14-15H,3-5,8-10,12H2,1H3.
What are the key properties of 2-methyl-4-(oxolan-3-yl)-6-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine?
2-methyl-4-(oxolan-3-yl)-6-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine has a molecular weight of 341.42 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(oxolan-3-yl)-6-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine is sourced from PubChem (CID 119059136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).