(2R)-1-[[1-(4,6-dimethylquinazolin-2-yl)piperidin-4-yl]amino]butan-2-ol

C19H28N4O — CID 42435274

IUPAC(2R)-1-[[1-(4,6-dimethylquinazolin-2-yl)piperidin-4-yl]amino]butan-2-ol
SMILESCC[C@@H](O)CNC1CCN(c2nc(C)c3cc(C)ccc3n2)CC1
InChIInChI=1S/C19H28N4O/c1-4-16(24)12-20-15-7-9-23(10-8-15)19-21-14(3)17-11-13(2)5-6-18(17)22-19/h5-6,11,15-16,20,24H,4,7-10,12H2,1-3H3/t16-/m1/s1
InChIKeyYDHQCFVXDBGAQR-MRXNPFEDSA-N
MW328.46 g/mol
LogP2.58
Rot. Bonds5

About (2R)-1-[[1-(4,6-dimethylquinazolin-2-yl)piperidin-4-yl]amino]butan-2-ol

(2R)-1-[[1-(4,6-dimethylquinazolin-2-yl)piperidin-4-yl]amino]butan-2-ol (PubChem CID 42435274) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is (2R)-1-[[1-(4,6-dimethylquinazolin-2-yl)piperidin-4-yl]amino]butan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[1-(4,6-dimethylquinazolin-2-yl)piperidin-4-yl]amino]butan-2-ol
PubChem CID42435274
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name(2R)-1-[[1-(4,6-dimethylquinazolin-2-yl)piperidin-4-yl]amino]butan-2-ol
SMILESCC[C@@H](O)CNC1CCN(c2nc(C)c3cc(C)ccc3n2)CC1
InChIInChI=1S/C19H28N4O/c1-4-16(24)12-20-15-7-9-23(10-8-15)19-21-14(3)17-11-13(2)5-6-18(17)22-19/h5-6,11,15-16,20,24H,4,7-10,12H2,1-3H3/t16-/m1/s1
InChIKeyYDHQCFVXDBGAQR-MRXNPFEDSA-N
XLogP2.58
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[1-(4,6-dimethylquinazolin-2-yl)piperidin-4-yl]amino]butan-2-ol?
The IUPAC name of (2R)-1-[[1-(4,6-dimethylquinazolin-2-yl)piperidin-4-yl]amino]butan-2-ol (CID 42435274) is (2R)-1-[[1-(4,6-dimethylquinazolin-2-yl)piperidin-4-yl]amino]butan-2-ol.
What is the SMILES notation for (2R)-1-[[1-(4,6-dimethylquinazolin-2-yl)piperidin-4-yl]amino]butan-2-ol?
The canonical SMILES for (2R)-1-[[1-(4,6-dimethylquinazolin-2-yl)piperidin-4-yl]amino]butan-2-ol is CC[C@@H](O)CNC1CCN(c2nc(C)c3cc(C)ccc3n2)CC1.
What is the InChIKey of (2R)-1-[[1-(4,6-dimethylquinazolin-2-yl)piperidin-4-yl]amino]butan-2-ol?
The InChIKey is YDHQCFVXDBGAQR-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28N4O/c1-4-16(24)12-20-15-7-9-23(10-8-15)19-21-14(3)17-11-13(2)5-6-18(17)22-19/h5-6,11,15-16,20,24H,4,7-10,12H2,1-3H3/t16-/m1/s1.
What are the key properties of (2R)-1-[[1-(4,6-dimethylquinazolin-2-yl)piperidin-4-yl]amino]butan-2-ol?
(2R)-1-[[1-(4,6-dimethylquinazolin-2-yl)piperidin-4-yl]amino]butan-2-ol has a molecular weight of 328.46 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[1-(4,6-dimethylquinazolin-2-yl)piperidin-4-yl]amino]butan-2-ol is sourced from PubChem (CID 42435274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).