1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone

C19H20N6O2 — CID 86285494

IUPAC1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone
SMILESNc1nccc(C2CCN(C(=O)COc3ncnc4ccccc34)CC2)n1
InChIInChI=1S/C19H20N6O2/c20-19-21-8-5-15(24-19)13-6-9-25(10-7-13)17(26)11-27-18-14-3-1-2-4-16(14)22-12-23-18/h1-5,8,12-13H,6-7,9-11H2,(H2,20,21,24)
InChIKeyJVDPEFGQTKMTEZ-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.79
Rot. Bonds4

About 1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone

1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone (PubChem CID 86285494) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone.

Molecular Properties

Compound Name1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone
PubChem CID86285494
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone
SMILESNc1nccc(C2CCN(C(=O)COc3ncnc4ccccc34)CC2)n1
InChIInChI=1S/C19H20N6O2/c20-19-21-8-5-15(24-19)13-6-9-25(10-7-13)17(26)11-27-18-14-3-1-2-4-16(14)22-12-23-18/h1-5,8,12-13H,6-7,9-11H2,(H2,20,21,24)
InChIKeyJVDPEFGQTKMTEZ-UHFFFAOYSA-N
XLogP1.79
TPSA107.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 90649083
1-[3-(4-methoxy-2-pyridinyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 166318304
4-ethyl-3-[1-(2-quinazolin-4-yloxyacetyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one
CID 50969210
1-(3,5-dimethylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone
CID 4164452
1-[2-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 91782442
1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 99974769
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-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 70722433
1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-3-(furan-2-yl)-3-phenylpropan-1-one
CID 131948781
1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone
CID 110254248
[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 86284534

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone?
The IUPAC name of 1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone (CID 86285494) is 1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone.
What is the SMILES notation for 1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone?
The canonical SMILES for 1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone is Nc1nccc(C2CCN(C(=O)COc3ncnc4ccccc34)CC2)n1.
What is the InChIKey of 1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone?
The InChIKey is JVDPEFGQTKMTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c20-19-21-8-5-15(24-19)13-6-9-25(10-7-13)17(26)11-27-18-14-3-1-2-4-16(14)22-12-23-18/h1-5,8,12-13H,6-7,9-11H2,(H2,20,21,24).
What are the key properties of 1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone?
1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone has a molecular weight of 364.41 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone is sourced from PubChem (CID 86285494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).