2,4-bis(4-methoxyphenoxy)-N-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-5-amine

C31H34N4O4 — CID 52935612

IUPAC2,4-bis(4-methoxyphenoxy)-N-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-5-amine
SMILESCOc1ccc(Oc2ncc(NC3CCN(CCc4ccccc4)CC3)c(Oc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C31H34N4O4/c1-36-25-8-12-27(13-9-25)38-30-29(22-32-31(34-30)39-28-14-10-26(37-2)11-15-28)33-24-17-20-35(21-18-24)19-16-23-6-4-3-5-7-23/h3-15,22,24,33H,16-21H2,1-2H3
InChIKeyCCDPGRKQMYVLGO-UHFFFAOYSA-N
MW526.64 g/mol
LogP6.20
Rot. Bonds11

About 2,4-bis(4-methoxyphenoxy)-N-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-5-amine

2,4-bis(4-methoxyphenoxy)-N-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-5-amine (PubChem CID 52935612) has the molecular formula C31H34N4O4 and a molecular weight of 526.64 g/mol. Its IUPAC name is 2,4-bis(4-methoxyphenoxy)-N-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-5-amine.

Molecular Properties

Compound Name2,4-bis(4-methoxyphenoxy)-N-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-5-amine
PubChem CID52935612
Molecular FormulaC31H34N4O4
Molecular Weight526.64 g/mol
Exact Mass526.26
IUPAC Name2,4-bis(4-methoxyphenoxy)-N-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-5-amine
SMILESCOc1ccc(Oc2ncc(NC3CCN(CCc4ccccc4)CC3)c(Oc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C31H34N4O4/c1-36-25-8-12-27(13-9-25)38-30-29(22-32-31(34-30)39-28-14-10-26(37-2)11-15-28)33-24-17-20-35(21-18-24)19-16-23-6-4-3-5-7-23/h3-15,22,24,33H,16-21H2,1-2H3
InChIKeyCCDPGRKQMYVLGO-UHFFFAOYSA-N
XLogP6.20
TPSA77.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.64
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-fluoro-4-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-2-amine
CID 137342628
N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]thiohydroxylamine
CID 123350321
1-(2-phenylethyl)-N-(1H-pyrazol-4-yl)piperidin-4-amine
CID 60797118
N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indazol-4-amine
CID 18447335
4-(2,4-dimethoxypyrimidin-5-yl)-1-(2-phenylethyl)piperidin-4-ol
CID 92611588
3-N,3-N-dimethyl-2-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazine-2,3-diamine
CID 135100926
N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 24732624
4-N-(1-benzylpiperidin-4-yl)-6-N-cyclopentyl-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 134107688
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
6-methoxy-3-[1-(2-phenylethyl)piperidin-4-yl]quinazolin-4-one
CID 70610696
N-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 35961140
N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indazol-5-amine
CID 14467953

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-methoxyphenoxy)-N-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-5-amine?
The IUPAC name of 2,4-bis(4-methoxyphenoxy)-N-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-5-amine (CID 52935612) is 2,4-bis(4-methoxyphenoxy)-N-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-5-amine.
What is the SMILES notation for 2,4-bis(4-methoxyphenoxy)-N-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-5-amine?
The canonical SMILES for 2,4-bis(4-methoxyphenoxy)-N-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-5-amine is COc1ccc(Oc2ncc(NC3CCN(CCc4ccccc4)CC3)c(Oc3ccc(OC)cc3)n2)cc1.
What is the InChIKey of 2,4-bis(4-methoxyphenoxy)-N-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-5-amine?
The InChIKey is CCDPGRKQMYVLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O4/c1-36-25-8-12-27(13-9-25)38-30-29(22-32-31(34-30)39-28-14-10-26(37-2)11-15-28)33-24-17-20-35(21-18-24)19-16-23-6-4-3-5-7-23/h3-15,22,24,33H,16-21H2,1-2H3.
What are the key properties of 2,4-bis(4-methoxyphenoxy)-N-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-5-amine?
2,4-bis(4-methoxyphenoxy)-N-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-5-amine has a molecular weight of 526.64 g/mol, XLogP of 6.20, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-methoxyphenoxy)-N-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-5-amine is sourced from PubChem (CID 52935612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).