5-phenyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1,4-dihydropyrimidin-2-amine

C23H28N4O — CID 173147727

IUPAC5-phenyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1,4-dihydropyrimidin-2-amine
SMILESC1=C(c2ccccc2)CN=C(Nc2ccc(OCCN3CCCCC3)cc2)N1
InChIInChI=1S/C23H28N4O/c1-3-7-19(8-4-1)20-17-24-23(25-18-20)26-21-9-11-22(12-10-21)28-16-15-27-13-5-2-6-14-27/h1,3-4,7-12,17H,2,5-6,13-16,18H2,(H2,24,25,26)
InChIKeyOYXFLVWMNVTDFE-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.96
Rot. Bonds6

About 5-phenyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1,4-dihydropyrimidin-2-amine

5-phenyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1,4-dihydropyrimidin-2-amine (PubChem CID 173147727) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 5-phenyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1,4-dihydropyrimidin-2-amine.

Molecular Properties

Compound Name5-phenyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1,4-dihydropyrimidin-2-amine
PubChem CID173147727
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name5-phenyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1,4-dihydropyrimidin-2-amine
SMILESC1=C(c2ccccc2)CN=C(Nc2ccc(OCCN3CCCCC3)cc2)N1
InChIInChI=1S/C23H28N4O/c1-3-7-19(8-4-1)20-17-24-23(25-18-20)26-21-9-11-22(12-10-21)28-16-15-27-13-5-2-6-14-27/h1,3-4,7-12,17H,2,5-6,13-16,18H2,(H2,24,25,26)
InChIKeyOYXFLVWMNVTDFE-UHFFFAOYSA-N
XLogP3.96
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
5-phenyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazol-2-amine
CID 11772958
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
1-[2-(3-phenylphenoxy)ethyl]piperidine
CID 58483782
1-[6-(4-phenylphenoxy)hexyl]piperidine
CID 155533744
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
2-[4-[4-(2-pyrrolidin-1-ylethoxy)anilino]quinazolin-2-yl]phenol
CID 137304471
2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]inden-1-one
CID 10341464
N-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 3070138
1-[5-(4-phenylphenoxy)pentyl]pyrrolidine
CID 11857856
2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine
CID 91805558
5-phenyl-2-(2-piperidin-1-ylethoxy)pyridine
CID 126471382

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1,4-dihydropyrimidin-2-amine?
The IUPAC name of 5-phenyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1,4-dihydropyrimidin-2-amine (CID 173147727) is 5-phenyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1,4-dihydropyrimidin-2-amine.
What is the SMILES notation for 5-phenyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1,4-dihydropyrimidin-2-amine?
The canonical SMILES for 5-phenyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1,4-dihydropyrimidin-2-amine is C1=C(c2ccccc2)CN=C(Nc2ccc(OCCN3CCCCC3)cc2)N1.
What is the InChIKey of 5-phenyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1,4-dihydropyrimidin-2-amine?
The InChIKey is OYXFLVWMNVTDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-3-7-19(8-4-1)20-17-24-23(25-18-20)26-21-9-11-22(12-10-21)28-16-15-27-13-5-2-6-14-27/h1,3-4,7-12,17H,2,5-6,13-16,18H2,(H2,24,25,26).
What are the key properties of 5-phenyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1,4-dihydropyrimidin-2-amine?
5-phenyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1,4-dihydropyrimidin-2-amine has a molecular weight of 376.50 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1,4-dihydropyrimidin-2-amine is sourced from PubChem (CID 173147727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).