5-(4-methoxyphenyl)-N,N-dimethyl-4-piperidin-2-ylpyrimidin-2-amine;hydrochloride

C18H25ClN4O — CID 171688129

IUPAC5-(4-methoxyphenyl)-N,N-dimethyl-4-piperidin-2-ylpyrimidin-2-amine;hydrochloride
SMILESCOc1ccc(-c2cnc(N(C)C)nc2C2CCCCN2)cc1.Cl
InChIInChI=1S/C18H24N4O.ClH/c1-22(2)18-20-12-15(13-7-9-14(23-3)10-8-13)17(21-18)16-6-4-5-11-19-16;/h7-10,12,16,19H,4-6,11H2,1-3H3;1H
InChIKeyFOCVRESLPOBJIW-UHFFFAOYSA-N
MW348.88 g/mol
LogP3.45
Rot. Bonds4

About 5-(4-methoxyphenyl)-N,N-dimethyl-4-piperidin-2-ylpyrimidin-2-amine;hydrochloride

5-(4-methoxyphenyl)-N,N-dimethyl-4-piperidin-2-ylpyrimidin-2-amine;hydrochloride (PubChem CID 171688129) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N,N-dimethyl-4-piperidin-2-ylpyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N,N-dimethyl-4-piperidin-2-ylpyrimidin-2-amine;hydrochloride
PubChem CID171688129
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC Name5-(4-methoxyphenyl)-N,N-dimethyl-4-piperidin-2-ylpyrimidin-2-amine;hydrochloride
SMILESCOc1ccc(-c2cnc(N(C)C)nc2C2CCCCN2)cc1.Cl
InChIInChI=1S/C18H24N4O.ClH/c1-22(2)18-20-12-15(13-7-9-14(23-3)10-8-13)17(21-18)16-6-4-5-11-19-16;/h7-10,12,16,19H,4-6,11H2,1-3H3;1H
InChIKeyFOCVRESLPOBJIW-UHFFFAOYSA-N
XLogP3.45
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-methoxyphenyl)-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine
CID 95814820
[(2R)-2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 92617707
4-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-5-(4-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine
CID 127248675
4-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-2-yl]-5-(4-methoxyphenyl)-N,N-dimethylpyrimidin-2-amine
CID 110266388
1-[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 110266370
1-[(2R)-2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 92607197
[(2R)-2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 92617753
2-[2-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]-N,N-diethylacetamide
CID 127248750
5-(4-methoxyphenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916010
N,N-dimethyl-5-phenyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-amine
CID 124938721
4-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-N,N-dimethyl-5-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 110266742
(2S)-2-(6-methoxynaphthalen-2-yl)piperidine;hydrochloride
CID 171194817

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N,N-dimethyl-4-piperidin-2-ylpyrimidin-2-amine;hydrochloride?
The IUPAC name of 5-(4-methoxyphenyl)-N,N-dimethyl-4-piperidin-2-ylpyrimidin-2-amine;hydrochloride (CID 171688129) is 5-(4-methoxyphenyl)-N,N-dimethyl-4-piperidin-2-ylpyrimidin-2-amine;hydrochloride.
What is the SMILES notation for 5-(4-methoxyphenyl)-N,N-dimethyl-4-piperidin-2-ylpyrimidin-2-amine;hydrochloride?
The canonical SMILES for 5-(4-methoxyphenyl)-N,N-dimethyl-4-piperidin-2-ylpyrimidin-2-amine;hydrochloride is COc1ccc(-c2cnc(N(C)C)nc2C2CCCCN2)cc1.Cl.
What is the InChIKey of 5-(4-methoxyphenyl)-N,N-dimethyl-4-piperidin-2-ylpyrimidin-2-amine;hydrochloride?
The InChIKey is FOCVRESLPOBJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.ClH/c1-22(2)18-20-12-15(13-7-9-14(23-3)10-8-13)17(21-18)16-6-4-5-11-19-16;/h7-10,12,16,19H,4-6,11H2,1-3H3;1H.
What are the key properties of 5-(4-methoxyphenyl)-N,N-dimethyl-4-piperidin-2-ylpyrimidin-2-amine;hydrochloride?
5-(4-methoxyphenyl)-N,N-dimethyl-4-piperidin-2-ylpyrimidin-2-amine;hydrochloride has a molecular weight of 348.88 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N,N-dimethyl-4-piperidin-2-ylpyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 171688129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).