4-(2-chloro-5-methylphenoxy)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine

C21H27ClN4O — CID 83286971

IUPAC4-(2-chloro-5-methylphenoxy)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine
SMILESCc1ccc(Cl)c(Oc2cc(N3CCC(N4CCCCC4)CC3)ncn2)c1
InChIInChI=1S/C21H27ClN4O/c1-16-5-6-18(22)19(13-16)27-21-14-20(23-15-24-21)26-11-7-17(8-12-26)25-9-3-2-4-10-25/h5-6,13-15,17H,2-4,7-12H2,1H3
InChIKeyODMBGKCPONKXSI-UHFFFAOYSA-N
MW386.93 g/mol
LogP4.69
Rot. Bonds4

About 4-(2-chloro-5-methylphenoxy)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine

4-(2-chloro-5-methylphenoxy)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine (PubChem CID 83286971) has the molecular formula C21H27ClN4O and a molecular weight of 386.93 g/mol. Its IUPAC name is 4-(2-chloro-5-methylphenoxy)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(2-chloro-5-methylphenoxy)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine
PubChem CID83286971
Molecular FormulaC21H27ClN4O
Molecular Weight386.93 g/mol
Exact Mass386.19
IUPAC Name4-(2-chloro-5-methylphenoxy)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine
SMILESCc1ccc(Cl)c(Oc2cc(N3CCC(N4CCCCC4)CC3)ncn2)c1
InChIInChI=1S/C21H27ClN4O/c1-16-5-6-18(22)19(13-16)27-21-14-20(23-15-24-21)26-11-7-17(8-12-26)25-9-3-2-4-10-25/h5-6,13-15,17H,2-4,7-12H2,1H3
InChIKeyODMBGKCPONKXSI-UHFFFAOYSA-N
XLogP4.69
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.93
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[6-(2-chloro-5-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]-(3,4-dichlorophenyl)methanone
CID 46167746
4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidine
CID 60706705
4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidine
CID 91633793
1-[4-[6-(2-chloro-5-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]-3-phenylpropan-1-one
CID 83286990
4-(2-chloro-5-methylphenoxy)-6-[(3R)-4-(4-chlorophenyl)sulfonyl-3-methylpiperazin-1-yl]pyrimidine
CID 93296722
1-[(2R)-4-[6-(2-chloro-5-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]hexan-1-one
CID 93296777
(2-chlorophenyl)-[4-[6-(2-fluoro-5-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 83287006
1-[(2R)-4-[6-(2-chloro-5-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-3-phenylpropan-1-one
CID 93297046
1-(2,4-dimethylphenyl)-4-pyrrolidin-1-ylpiperidine
CID 71106426
1-(2-chloro-5-methylphenoxy)piperidine
CID 90872354
2-chloro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine
CID 22308329
N-cyclopropyl-1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 56861783

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-methylphenoxy)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine?
The IUPAC name of 4-(2-chloro-5-methylphenoxy)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine (CID 83286971) is 4-(2-chloro-5-methylphenoxy)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 4-(2-chloro-5-methylphenoxy)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 4-(2-chloro-5-methylphenoxy)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine is Cc1ccc(Cl)c(Oc2cc(N3CCC(N4CCCCC4)CC3)ncn2)c1.
What is the InChIKey of 4-(2-chloro-5-methylphenoxy)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine?
The InChIKey is ODMBGKCPONKXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN4O/c1-16-5-6-18(22)19(13-16)27-21-14-20(23-15-24-21)26-11-7-17(8-12-26)25-9-3-2-4-10-25/h5-6,13-15,17H,2-4,7-12H2,1H3.
What are the key properties of 4-(2-chloro-5-methylphenoxy)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine?
4-(2-chloro-5-methylphenoxy)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine has a molecular weight of 386.93 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-methylphenoxy)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 83286971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).