N-(3-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine

C21H22N4O — CID 118307561

IUPACN-(3-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine
SMILESc1ccc(-c2cccc(Nc3nccc(OC4CCNCC4)n3)c2)cc1
InChIInChI=1S/C21H22N4O/c1-2-5-16(6-3-1)17-7-4-8-18(15-17)24-21-23-14-11-20(25-21)26-19-9-12-22-13-10-19/h1-8,11,14-15,19,22H,9-10,12-13H2,(H,23,24,25)
InChIKeyYNFOJDQPPXTHNJ-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.02
Rot. Bonds5

About N-(3-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine

N-(3-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine (PubChem CID 118307561) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(3-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine
PubChem CID118307561
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-(3-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine
SMILESc1ccc(-c2cccc(Nc3nccc(OC4CCNCC4)n3)c2)cc1
InChIInChI=1S/C21H22N4O/c1-2-5-16(6-3-1)17-7-4-8-18(15-17)24-21-23-14-11-20(25-21)26-19-9-12-22-13-10-19/h1-8,11,14-15,19,22H,9-10,12-13H2,(H,23,24,25)
InChIKeyYNFOJDQPPXTHNJ-UHFFFAOYSA-N
XLogP4.02
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(16E)-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene
CID 16070059
(16E)-14-methyl-20-oxa-5,7,14,22,27-pentazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene
CID 16739948
4-[(4-Benzyloxypyrimidin-2-yl)amino]benzonitrile
CID 129908811
4-[[4-(o-Tolylmethoxy)pyrimidin-2-yl]amino]benzonitrile
CID 129908815
2-[[2-(4-Cyanoanilino)pyrimidin-4-yl]oxymethyl]benzonitrile
CID 129909041
4-[[4-(3-Pyridylmethoxy)pyrimidin-2-yl]amino]benzonitrile
CID 129909181
4-N-benzyl-2-N-[4-(2-piperidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine
CID 155565227
US9205085, Msx-200
CID 58757230
N-(4-morpholin-2-ylphenyl)-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
CID 68325684
N-[4-[(2R)-morpholin-2-yl]phenyl]-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
CID 68325839
N-(5-methylbiphenyl-3-yl)-4-(piperidin-4-yloxy)pyrimidin-2-amine
CID 90042042
5-(4-{2-[(trans-4-Aminocyclohexyl)oxy]pyridin-3-yl}-2-fluorophenyl)pyrimidin-2-amine
CID 90314415

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine?
The IUPAC name of N-(3-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine (CID 118307561) is N-(3-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine.
What is the SMILES notation for N-(3-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine?
The canonical SMILES for N-(3-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine is c1ccc(-c2cccc(Nc3nccc(OC4CCNCC4)n3)c2)cc1.
What is the InChIKey of N-(3-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine?
The InChIKey is YNFOJDQPPXTHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-2-5-16(6-3-1)17-7-4-8-18(15-17)24-21-23-14-11-20(25-21)26-19-9-12-22-13-10-19/h1-8,11,14-15,19,22H,9-10,12-13H2,(H,23,24,25).
What are the key properties of N-(3-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine?
N-(3-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine has a molecular weight of 346.43 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine is sourced from PubChem (CID 118307561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).