[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone

C20H25N5O2 — CID 86284534

IUPAC[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
SMILESNc1nccc(C2CCN(C(=O)c3ccccc3N3CCOCC3)CC2)n1
InChIInChI=1S/C20H25N5O2/c21-20-22-8-5-17(23-20)15-6-9-25(10-7-15)19(26)16-3-1-2-4-18(16)24-11-13-27-14-12-24/h1-5,8,15H,6-7,9-14H2,(H2,21,22,23)
InChIKeyAOXIWKHUWJSYHG-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.92
Rot. Bonds3

About [4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone

[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone (PubChem CID 86284534) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is [4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
PubChem CID86284534
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
SMILESNc1nccc(C2CCN(C(=O)c3ccccc3N3CCOCC3)CC2)n1
InChIInChI=1S/C20H25N5O2/c21-20-22-8-5-17(23-20)15-6-9-25(10-7-15)19(26)16-3-1-2-4-18(16)24-11-13-27-14-12-24/h1-5,8,15H,6-7,9-14H2,(H2,21,22,23)
InChIKeyAOXIWKHUWJSYHG-UHFFFAOYSA-N
XLogP1.92
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-(2-morpholin-4-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 125148963
[3-(aminomethyl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 119486562
[3-(2-chlorophenyl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 118778888
(3-aminoazepan-1-yl)-(2-morpholin-4-ylphenyl)methanone
CID 70747258
1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-2-(dimethylamino)ethanone
CID 95817631
1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanone
CID 95841354
1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-3-(furan-2-yl)-3-phenylpropan-1-one
CID 131948781
(2-morpholin-4-ylphenyl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 131927908
1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 86285494
(2-aminopyrimidin-4-yl)-morpholin-4-ylmethanone
CID 117212768
[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 155959216
[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-cyclobutylmethanone
CID 110269324

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone?
The IUPAC name of [4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone (CID 86284534) is [4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone.
What is the SMILES notation for [4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone?
The canonical SMILES for [4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone is Nc1nccc(C2CCN(C(=O)c3ccccc3N3CCOCC3)CC2)n1.
What is the InChIKey of [4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone?
The InChIKey is AOXIWKHUWJSYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c21-20-22-8-5-17(23-20)15-6-9-25(10-7-15)19(26)16-3-1-2-4-18(16)24-11-13-27-14-12-24/h1-5,8,15H,6-7,9-14H2,(H2,21,22,23).
What are the key properties of [4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone?
[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone has a molecular weight of 367.45 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone is sourced from PubChem (CID 86284534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).