1-[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one

C19H27N5O2 — CID 67302115

IUPAC1-[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(COc2cccc3nc(N)nc(N)c23)CC1
InChIInChI=1S/C19H27N5O2/c1-19(2,3)17(25)24-9-7-12(8-10-24)11-26-14-6-4-5-13-15(14)16(20)23-18(21)22-13/h4-6,12H,7-11H2,1-3H3,(H4,20,21,22,23)
InChIKeyUFKKPFZPIMXZNR-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.46
Rot. Bonds3

About 1-[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 67302115) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID67302115
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name1-[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(COc2cccc3nc(N)nc(N)c23)CC1
InChIInChI=1S/C19H27N5O2/c1-19(2,3)17(25)24-9-7-12(8-10-24)11-26-14-6-4-5-13-15(14)16(20)23-18(21)22-13/h4-6,12H,7-11H2,1-3H3,(H4,20,21,22,23)
InChIKeyUFKKPFZPIMXZNR-UHFFFAOYSA-N
XLogP2.46
TPSA107.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 67302115) is 1-[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCC(COc2cccc3nc(N)nc(N)c23)CC1.
What is the InChIKey of 1-[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is UFKKPFZPIMXZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-19(2,3)17(25)24-9-7-12(8-10-24)11-26-14-6-4-5-13-15(14)16(20)23-18(21)22-13/h4-6,12H,7-11H2,1-3H3,(H4,20,21,22,23).
What are the key properties of 1-[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 357.46 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 67302115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).