4-methyl-6-phenoxy-2-[3-(pyridin-3-ylmethoxy)pyrrolidin-1-yl]pyrimidine

C21H22N4O2 — CID 154844891

IUPAC4-methyl-6-phenoxy-2-[3-(pyridin-3-ylmethoxy)pyrrolidin-1-yl]pyrimidine
SMILESCc1cc(Oc2ccccc2)nc(N2CCC(OCc3cccnc3)C2)n1
InChIInChI=1S/C21H22N4O2/c1-16-12-20(27-18-7-3-2-4-8-18)24-21(23-16)25-11-9-19(14-25)26-15-17-6-5-10-22-13-17/h2-8,10,12-13,19H,9,11,14-15H2,1H3
InChIKeyDMUAJBNPLGXLDK-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.77
Rot. Bonds6

About 4-methyl-6-phenoxy-2-[3-(pyridin-3-ylmethoxy)pyrrolidin-1-yl]pyrimidine

4-methyl-6-phenoxy-2-[3-(pyridin-3-ylmethoxy)pyrrolidin-1-yl]pyrimidine (PubChem CID 154844891) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-methyl-6-phenoxy-2-[3-(pyridin-3-ylmethoxy)pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-6-phenoxy-2-[3-(pyridin-3-ylmethoxy)pyrrolidin-1-yl]pyrimidine
PubChem CID154844891
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name4-methyl-6-phenoxy-2-[3-(pyridin-3-ylmethoxy)pyrrolidin-1-yl]pyrimidine
SMILESCc1cc(Oc2ccccc2)nc(N2CCC(OCc3cccnc3)C2)n1
InChIInChI=1S/C21H22N4O2/c1-16-12-20(27-18-7-3-2-4-8-18)24-21(23-16)25-11-9-19(14-25)26-15-17-6-5-10-22-13-17/h2-8,10,12-13,19H,9,11,14-15H2,1H3
InChIKeyDMUAJBNPLGXLDK-UHFFFAOYSA-N
XLogP3.77
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(6-chloropyrazin-2-yl)oxypiperidin-1-yl]-4-methyl-6-phenoxypyrimidine
CID 154850968
4-methyl-6-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-2-amine
CID 39817678
4-methyl-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-6-phenoxypyrimidine
CID 154844888
N,N,5-trimethyl-2-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine
CID 95128247
5-[[4-(4-methyl-6-phenoxypyrimidin-2-yl)piperazin-1-yl]methyl]pyridine-3-carbonitrile
CID 154871336
6-methyl-2-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,3-benzothiazole
CID 70745111
3-fluoro-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine
CID 72908403
4-methyl-6-phenoxy-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine
CID 167757226
5-(1-benzofuran-2-yl)-3-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,2,4-triazine
CID 42291886
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630
4-(4,6-dimethylpyrimidin-2-yl)-6-(pyridin-3-ylmethyl)-1,4-oxazepane
CID 102604287
4-methyl-6-[(3R)-3-phenoxypyrrolidin-1-yl]-2-pyridin-3-ylpyrimidine
CID 154842652

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-phenoxy-2-[3-(pyridin-3-ylmethoxy)pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 4-methyl-6-phenoxy-2-[3-(pyridin-3-ylmethoxy)pyrrolidin-1-yl]pyrimidine (CID 154844891) is 4-methyl-6-phenoxy-2-[3-(pyridin-3-ylmethoxy)pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methyl-6-phenoxy-2-[3-(pyridin-3-ylmethoxy)pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 4-methyl-6-phenoxy-2-[3-(pyridin-3-ylmethoxy)pyrrolidin-1-yl]pyrimidine is Cc1cc(Oc2ccccc2)nc(N2CCC(OCc3cccnc3)C2)n1.
What is the InChIKey of 4-methyl-6-phenoxy-2-[3-(pyridin-3-ylmethoxy)pyrrolidin-1-yl]pyrimidine?
The InChIKey is DMUAJBNPLGXLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-16-12-20(27-18-7-3-2-4-8-18)24-21(23-16)25-11-9-19(14-25)26-15-17-6-5-10-22-13-17/h2-8,10,12-13,19H,9,11,14-15H2,1H3.
What are the key properties of 4-methyl-6-phenoxy-2-[3-(pyridin-3-ylmethoxy)pyrrolidin-1-yl]pyrimidine?
4-methyl-6-phenoxy-2-[3-(pyridin-3-ylmethoxy)pyrrolidin-1-yl]pyrimidine has a molecular weight of 362.43 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-phenoxy-2-[3-(pyridin-3-ylmethoxy)pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 154844891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).