N-(3-methyl-5-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine

C22H24N4O — CID 90042042

IUPACN-(3-methyl-5-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine
SMILESCc1cc(Nc2nccc(OC3CCNCC3)n2)cc(-c2ccccc2)c1
InChIInChI=1S/C22H24N4O/c1-16-13-18(17-5-3-2-4-6-17)15-19(14-16)25-22-24-12-9-21(26-22)27-20-7-10-23-11-8-20/h2-6,9,12-15,20,23H,7-8,10-11H2,1H3,(H,24,25,26)
InChIKeyBUZKLFMDPMVYPR-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.33
Rot. Bonds5

About N-(3-methyl-5-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine

N-(3-methyl-5-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine (PubChem CID 90042042) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(3-methyl-5-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-methyl-5-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine
PubChem CID90042042
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-(3-methyl-5-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine
SMILESCc1cc(Nc2nccc(OC3CCNCC3)n2)cc(-c2ccccc2)c1
InChIInChI=1S/C22H24N4O/c1-16-13-18(17-5-3-2-4-6-17)15-19(14-16)25-22-24-12-9-21(26-22)27-20-7-10-23-11-8-20/h2-6,9,12-15,20,23H,7-8,10-11H2,1H3,(H,24,25,26)
InChIKeyBUZKLFMDPMVYPR-UHFFFAOYSA-N
XLogP4.33
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(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-[(2-{[1-(3-Cyanophenyl)piperidin-4-yl]amino}pyrimidin-4-yl)oxy]-3,5-dimethylbenzonitrile
CID 24958407
4-[[4-(m-Tolylmethoxy)pyrimidin-2-yl]amino]benzonitrile
CID 129908816
3-[[2-(4-Cyanoanilino)pyrimidin-4-yl]oxymethyl]benzonitrile
CID 129909042
US9205085, Msx-200
CID 58757230
N-(3-morpholin-4-yl-5-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine
CID 118307529
Ethyl 3-[4-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]phenyl]propanoate
CID 118307540
N-(3-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine
CID 118307561
Ethyl 3-[3-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]phenyl]propanoate
CID 118307584
N-(3-phenyl-5-piperidin-4-yloxyphenyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 118307603
N-(4-morpholin-4-yl-3-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine
CID 118307605
4-[[4-(Cyclopentoxy)pyrimidin-2-yl]amino]benzonitrile
CID 54764931

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-5-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine?
The IUPAC name of N-(3-methyl-5-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine (CID 90042042) is N-(3-methyl-5-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine.
What is the SMILES notation for N-(3-methyl-5-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine?
The canonical SMILES for N-(3-methyl-5-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine is Cc1cc(Nc2nccc(OC3CCNCC3)n2)cc(-c2ccccc2)c1.
What is the InChIKey of N-(3-methyl-5-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine?
The InChIKey is BUZKLFMDPMVYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-16-13-18(17-5-3-2-4-6-17)15-19(14-16)25-22-24-12-9-21(26-22)27-20-7-10-23-11-8-20/h2-6,9,12-15,20,23H,7-8,10-11H2,1H3,(H,24,25,26).
What are the key properties of N-(3-methyl-5-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine?
N-(3-methyl-5-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine has a molecular weight of 360.46 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-5-phenylphenyl)-4-piperidin-4-yloxypyrimidin-2-amine is sourced from PubChem (CID 90042042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).