4-(4-methoxyphenyl)-N-(1-methoxypiperidin-4-yl)pyrimidin-2-amine

C17H22N4O2 — CID 167788437

IUPAC4-(4-methoxyphenyl)-N-(1-methoxypiperidin-4-yl)pyrimidin-2-amine
SMILESCOc1ccc(-c2ccnc(NC3CCN(OC)CC3)n2)cc1
InChIInChI=1S/C17H22N4O2/c1-22-15-5-3-13(4-6-15)16-7-10-18-17(20-16)19-14-8-11-21(23-2)12-9-14/h3-7,10,14H,8-9,11-12H2,1-2H3,(H,18,19,20)
InChIKeyMVTHNEHRSCHRRR-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.59
Rot. Bonds5

About 4-(4-methoxyphenyl)-N-(1-methoxypiperidin-4-yl)pyrimidin-2-amine

4-(4-methoxyphenyl)-N-(1-methoxypiperidin-4-yl)pyrimidin-2-amine (PubChem CID 167788437) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-(1-methoxypiperidin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-(1-methoxypiperidin-4-yl)pyrimidin-2-amine
PubChem CID167788437
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name4-(4-methoxyphenyl)-N-(1-methoxypiperidin-4-yl)pyrimidin-2-amine
SMILESCOc1ccc(-c2ccnc(NC3CCN(OC)CC3)n2)cc1
InChIInChI=1S/C17H22N4O2/c1-22-15-5-3-13(4-6-15)16-7-10-18-17(20-16)19-14-8-11-21(23-2)12-9-14/h3-7,10,14H,8-9,11-12H2,1-2H3,(H,18,19,20)
InChIKeyMVTHNEHRSCHRRR-UHFFFAOYSA-N
XLogP2.59
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-1-methylcyclobutan-1-ol
CID 136582865
1-[4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one
CID 166271542
(2,4-dimethoxyphenyl)-[4-[(4-phenylpyrimidin-2-yl)amino]piperidin-1-yl]methanone
CID 66552003
N-cyclopentyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112884384
(3S)-3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-1-(oxan-4-yl)pyrrolidin-2-one
CID 164634792
N-cyclopropyl-4-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 129206885
4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide
CID 54580034
4-[7-chloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine
CID 57444748
N-cyclohexyl-4-[2-(4-iminocyclohexyl)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 143376475
2-[ethyl-[3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]cyclobutyl]amino]acetic acid
CID 122061635
4-(4-chlorophenyl)-N-piperidin-4-ylpyrimidin-2-amine
CID 54584009
N-(1-methylpiperidin-4-yl)-4-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine
CID 54586041

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-(1-methoxypiperidin-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-(1-methoxypiperidin-4-yl)pyrimidin-2-amine (CID 167788437) is 4-(4-methoxyphenyl)-N-(1-methoxypiperidin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-(1-methoxypiperidin-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-(1-methoxypiperidin-4-yl)pyrimidin-2-amine is COc1ccc(-c2ccnc(NC3CCN(OC)CC3)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-(1-methoxypiperidin-4-yl)pyrimidin-2-amine?
The InChIKey is MVTHNEHRSCHRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-22-15-5-3-13(4-6-15)16-7-10-18-17(20-16)19-14-8-11-21(23-2)12-9-14/h3-7,10,14H,8-9,11-12H2,1-2H3,(H,18,19,20).
What are the key properties of 4-(4-methoxyphenyl)-N-(1-methoxypiperidin-4-yl)pyrimidin-2-amine?
4-(4-methoxyphenyl)-N-(1-methoxypiperidin-4-yl)pyrimidin-2-amine has a molecular weight of 314.39 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-(1-methoxypiperidin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 167788437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).