(2R)-3-ethyl-1-[(6-methylsulfonylquinazolin-4-yl)amino]pentan-2-ol

C16H23N3O3S — CID 124847327

IUPAC(2R)-3-ethyl-1-[(6-methylsulfonylquinazolin-4-yl)amino]pentan-2-ol
SMILESCCC(CC)[C@@H](O)CNc1ncnc2ccc(S(C)(=O)=O)cc12
InChIInChI=1S/C16H23N3O3S/c1-4-11(5-2)15(20)9-17-16-13-8-12(23(3,21)22)6-7-14(13)18-10-19-16/h6-8,10-11,15,20H,4-5,9H2,1-3H3,(H,17,18,19)/t15-/m0/s1
InChIKeyKOACMONFUIKUJW-HNNXBMFYSA-N
MW337.45 g/mol
LogP2.24
Rot. Bonds7

About (2R)-3-ethyl-1-[(6-methylsulfonylquinazolin-4-yl)amino]pentan-2-ol

(2R)-3-ethyl-1-[(6-methylsulfonylquinazolin-4-yl)amino]pentan-2-ol (PubChem CID 124847327) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is (2R)-3-ethyl-1-[(6-methylsulfonylquinazolin-4-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name(2R)-3-ethyl-1-[(6-methylsulfonylquinazolin-4-yl)amino]pentan-2-ol
PubChem CID124847327
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name(2R)-3-ethyl-1-[(6-methylsulfonylquinazolin-4-yl)amino]pentan-2-ol
SMILESCCC(CC)[C@@H](O)CNc1ncnc2ccc(S(C)(=O)=O)cc12
InChIInChI=1S/C16H23N3O3S/c1-4-11(5-2)15(20)9-17-16-13-8-12(23(3,21)22)6-7-14(13)18-10-19-16/h6-8,10-11,15,20H,4-5,9H2,1-3H3,(H,17,18,19)/t15-/m0/s1
InChIKeyKOACMONFUIKUJW-HNNXBMFYSA-N
XLogP2.24
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-3-ethyl-1-[(6-methylsulfonylquinazolin-4-yl)amino]pentan-2-ol with MolForge

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Related Compounds

(3R)-3-[[(6-methylsulfonylquinazolin-4-yl)amino]methyl]pentan-1-ol
CID 124741788
(1S)-1-(3-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]ethanol
CID 124743600
N-(4-ethylphenyl)-6-methylsulfonylquinazolin-4-amine
CID 119045563
N-[(4-fluorophenyl)methyl]-6-methylsulfonylquinazolin-4-amine
CID 119045565
6-methylsulfonyl-N-(oxan-4-ylmethyl)quinazolin-4-amine
CID 119049485
N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-6-methylsulfonylquinazolin-4-amine
CID 119045660
(2R)-3-(4-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]propan-1-ol
CID 124851919
6-methylsulfonyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]quinazolin-4-amine
CID 124843608
3-ethyl-1-[[6-(ethylamino)-5-nitropyrimidin-4-yl]amino]pentan-2-ol
CID 106288935
N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6-methylsulfonylquinazolin-4-amine
CID 119049577
3-[(6-aminoquinazolin-4-yl)amino]-2-hydroxypropanamide
CID 114152808
3-[[6-(methylsulfonimidoyl)quinazolin-4-yl]amino]phenol
CID 42641380

Frequently Asked Questions

What is the IUPAC name of (2R)-3-ethyl-1-[(6-methylsulfonylquinazolin-4-yl)amino]pentan-2-ol?
The IUPAC name of (2R)-3-ethyl-1-[(6-methylsulfonylquinazolin-4-yl)amino]pentan-2-ol (CID 124847327) is (2R)-3-ethyl-1-[(6-methylsulfonylquinazolin-4-yl)amino]pentan-2-ol.
What is the SMILES notation for (2R)-3-ethyl-1-[(6-methylsulfonylquinazolin-4-yl)amino]pentan-2-ol?
The canonical SMILES for (2R)-3-ethyl-1-[(6-methylsulfonylquinazolin-4-yl)amino]pentan-2-ol is CCC(CC)[C@@H](O)CNc1ncnc2ccc(S(C)(=O)=O)cc12.
What is the InChIKey of (2R)-3-ethyl-1-[(6-methylsulfonylquinazolin-4-yl)amino]pentan-2-ol?
The InChIKey is KOACMONFUIKUJW-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-4-11(5-2)15(20)9-17-16-13-8-12(23(3,21)22)6-7-14(13)18-10-19-16/h6-8,10-11,15,20H,4-5,9H2,1-3H3,(H,17,18,19)/t15-/m0/s1.
What are the key properties of (2R)-3-ethyl-1-[(6-methylsulfonylquinazolin-4-yl)amino]pentan-2-ol?
(2R)-3-ethyl-1-[(6-methylsulfonylquinazolin-4-yl)amino]pentan-2-ol has a molecular weight of 337.45 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-ethyl-1-[(6-methylsulfonylquinazolin-4-yl)amino]pentan-2-ol is sourced from PubChem (CID 124847327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).