4-(4-morpholin-4-ylpiperidin-1-yl)-N-phenylpyrimidin-2-amine

C19H25N5O — CID 58432936

IUPAC4-(4-morpholin-4-ylpiperidin-1-yl)-N-phenylpyrimidin-2-amine
SMILESc1ccc(Nc2nccc(N3CCC(N4CCOCC4)CC3)n2)cc1
InChIInChI=1S/C19H25N5O/c1-2-4-16(5-3-1)21-19-20-9-6-18(22-19)24-10-7-17(8-11-24)23-12-14-25-15-13-23/h1-6,9,17H,7-8,10-15H2,(H,20,21,22)
InChIKeyHERZPBDFERLIMZ-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.52
Rot. Bonds4

About 4-(4-morpholin-4-ylpiperidin-1-yl)-N-phenylpyrimidin-2-amine

4-(4-morpholin-4-ylpiperidin-1-yl)-N-phenylpyrimidin-2-amine (PubChem CID 58432936) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-(4-morpholin-4-ylpiperidin-1-yl)-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-morpholin-4-ylpiperidin-1-yl)-N-phenylpyrimidin-2-amine
PubChem CID58432936
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name4-(4-morpholin-4-ylpiperidin-1-yl)-N-phenylpyrimidin-2-amine
SMILESc1ccc(Nc2nccc(N3CCC(N4CCOCC4)CC3)n2)cc1
InChIInChI=1S/C19H25N5O/c1-2-4-16(5-3-1)21-19-20-9-6-18(22-19)24-10-7-17(8-11-24)23-12-14-25-15-13-23/h1-6,9,17H,7-8,10-15H2,(H,20,21,22)
InChIKeyHERZPBDFERLIMZ-UHFFFAOYSA-N
XLogP2.52
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-morpholin-4-ylpiperidin-1-yl)-N-(3-phenoxyphenyl)pyrimidin-2-amine
CID 58432907
N-[4-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-2-yl]isoquinolin-6-amine
CID 58432892
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
N-(3,4-dichlorophenyl)-4-morpholin-4-ylpyrimidin-2-amine
CID 112886522
4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 58891146
4-N,4-N-diethyl-1-N-(4-morpholin-4-ylpyrimidin-2-yl)benzene-1,4-diamine
CID 112886496
2-(4-morpholin-4-ylpiperidin-1-yl)-N-phenyl-7H-purin-6-amine
CID 117079282
N-(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 112896423
N-[4-(3-chloropropoxy)phenyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 142745789
methyl 4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]benzoate
CID 112886492
4-(azepan-1-yl)-N-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyrimidin-2-amine
CID 10428560

Frequently Asked Questions

What is the IUPAC name of 4-(4-morpholin-4-ylpiperidin-1-yl)-N-phenylpyrimidin-2-amine?
The IUPAC name of 4-(4-morpholin-4-ylpiperidin-1-yl)-N-phenylpyrimidin-2-amine (CID 58432936) is 4-(4-morpholin-4-ylpiperidin-1-yl)-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-morpholin-4-ylpiperidin-1-yl)-N-phenylpyrimidin-2-amine?
The canonical SMILES for 4-(4-morpholin-4-ylpiperidin-1-yl)-N-phenylpyrimidin-2-amine is c1ccc(Nc2nccc(N3CCC(N4CCOCC4)CC3)n2)cc1.
What is the InChIKey of 4-(4-morpholin-4-ylpiperidin-1-yl)-N-phenylpyrimidin-2-amine?
The InChIKey is HERZPBDFERLIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-2-4-16(5-3-1)21-19-20-9-6-18(22-19)24-10-7-17(8-11-24)23-12-14-25-15-13-23/h1-6,9,17H,7-8,10-15H2,(H,20,21,22).
What are the key properties of 4-(4-morpholin-4-ylpiperidin-1-yl)-N-phenylpyrimidin-2-amine?
4-(4-morpholin-4-ylpiperidin-1-yl)-N-phenylpyrimidin-2-amine has a molecular weight of 339.44 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-morpholin-4-ylpiperidin-1-yl)-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 58432936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).