4-(4-morpholin-4-ylpiperidin-1-yl)-N-(3-phenoxyphenyl)pyrimidin-2-amine

C25H29N5O2 — CID 58432907

IUPAC4-(4-morpholin-4-ylpiperidin-1-yl)-N-(3-phenoxyphenyl)pyrimidin-2-amine
SMILESc1ccc(Oc2cccc(Nc3nccc(N4CCC(N5CCOCC5)CC4)n3)c2)cc1
InChIInChI=1S/C25H29N5O2/c1-2-6-22(7-3-1)32-23-8-4-5-20(19-23)27-25-26-12-9-24(28-25)30-13-10-21(11-14-30)29-15-17-31-18-16-29/h1-9,12,19,21H,10-11,13-18H2,(H,26,27,28)
InChIKeyPRNGVAOZBWSMPG-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.31
Rot. Bonds6

About 4-(4-morpholin-4-ylpiperidin-1-yl)-N-(3-phenoxyphenyl)pyrimidin-2-amine

4-(4-morpholin-4-ylpiperidin-1-yl)-N-(3-phenoxyphenyl)pyrimidin-2-amine (PubChem CID 58432907) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 4-(4-morpholin-4-ylpiperidin-1-yl)-N-(3-phenoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-morpholin-4-ylpiperidin-1-yl)-N-(3-phenoxyphenyl)pyrimidin-2-amine
PubChem CID58432907
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name4-(4-morpholin-4-ylpiperidin-1-yl)-N-(3-phenoxyphenyl)pyrimidin-2-amine
SMILESc1ccc(Oc2cccc(Nc3nccc(N4CCC(N5CCOCC5)CC4)n3)c2)cc1
InChIInChI=1S/C25H29N5O2/c1-2-6-22(7-3-1)32-23-8-4-5-20(19-23)27-25-26-12-9-24(28-25)30-13-10-21(11-14-30)29-15-17-31-18-16-29/h1-9,12,19,21H,10-11,13-18H2,(H,26,27,28)
InChIKeyPRNGVAOZBWSMPG-UHFFFAOYSA-N
XLogP4.31
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-morpholin-4-ylpiperidin-1-yl)-N-phenylpyrimidin-2-amine
CID 58432936
N-[4-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-2-yl]isoquinolin-6-amine
CID 58432892
N-(3,4-dichlorophenyl)-4-morpholin-4-ylpyrimidin-2-amine
CID 112886522
4-(2-morpholin-4-yl-4-pyridinyl)-N-phenylpyrimidin-2-amine
CID 71458570
N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898748
2-N-(3-methoxyphenyl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112904687
N-(2-phenoxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883965
2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 117084087
N-[4-(3-chloropropoxy)phenyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 142745789
1-[4-[2-(4-phenoxyanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112888936
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine
CID 112894274
N-[3-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine
CID 68650109

Frequently Asked Questions

What is the IUPAC name of 4-(4-morpholin-4-ylpiperidin-1-yl)-N-(3-phenoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-morpholin-4-ylpiperidin-1-yl)-N-(3-phenoxyphenyl)pyrimidin-2-amine (CID 58432907) is 4-(4-morpholin-4-ylpiperidin-1-yl)-N-(3-phenoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-morpholin-4-ylpiperidin-1-yl)-N-(3-phenoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-morpholin-4-ylpiperidin-1-yl)-N-(3-phenoxyphenyl)pyrimidin-2-amine is c1ccc(Oc2cccc(Nc3nccc(N4CCC(N5CCOCC5)CC4)n3)c2)cc1.
What is the InChIKey of 4-(4-morpholin-4-ylpiperidin-1-yl)-N-(3-phenoxyphenyl)pyrimidin-2-amine?
The InChIKey is PRNGVAOZBWSMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-2-6-22(7-3-1)32-23-8-4-5-20(19-23)27-25-26-12-9-24(28-25)30-13-10-21(11-14-30)29-15-17-31-18-16-29/h1-9,12,19,21H,10-11,13-18H2,(H,26,27,28).
What are the key properties of 4-(4-morpholin-4-ylpiperidin-1-yl)-N-(3-phenoxyphenyl)pyrimidin-2-amine?
4-(4-morpholin-4-ylpiperidin-1-yl)-N-(3-phenoxyphenyl)pyrimidin-2-amine has a molecular weight of 431.54 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-morpholin-4-ylpiperidin-1-yl)-N-(3-phenoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 58432907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).