cis-(1R,2S)-2-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol

C14H16FN3O — CID 95622939

IUPACcis-(1R,2S)-2-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@@H]1Nc1ncnc2cccc(F)c12
InChIInChI=1S/C14H16FN3O/c15-9-4-3-6-11-13(9)14(17-8-16-11)18-10-5-1-2-7-12(10)19/h3-4,6,8,10,12,19H,1-2,5,7H2,(H,16,17,18)/t10-,12+/m0/s1
InChIKeyXEHCPVQWEOQOEQ-CMPLNLGQSA-N
MW261.30 g/mol
LogP2.48
Rot. Bonds2

About cis-(1R,2S)-2-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol

cis-(1R,2S)-2-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol (PubChem CID 95622939) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol
PubChem CID95622939
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Namecis-(1R,2S)-2-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@@H]1Nc1ncnc2cccc(F)c12
InChIInChI=1S/C14H16FN3O/c15-9-4-3-6-11-13(9)14(17-8-16-11)18-10-5-1-2-7-12(10)19/h3-4,6,8,10,12,19H,1-2,5,7H2,(H,16,17,18)/t10-,12+/m0/s1
InChIKeyXEHCPVQWEOQOEQ-CMPLNLGQSA-N
XLogP2.48
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol
CID 56788040
4-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol
CID 56816066
5-fluoro-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]quinazolin-4-amine
CID 120921078
2-[(2-aminoquinazolin-4-yl)amino]cyclohexan-1-ol
CID 80827366
2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80919271
5-fluoro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-amine
CID 78901348
(3S)-3-[(5-fluoroquinazolin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one
CID 124886125
trans-(1S,2S)-2-(2-fluoroanilino)cyclopentan-1-ol
CID 93345872
2-[(5-chloropyrimidin-4-yl)amino]cyclohexan-1-ol
CID 105369367
trans-(1S,2S)-2-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
CID 133495393
2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80826428
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]cycloheptan-1-ol
CID 113395206

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of cis-(1R,2S)-2-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol (CID 95622939) is cis-(1R,2S)-2-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol is O[C@@H]1CCCC[C@@H]1Nc1ncnc2cccc(F)c12.
What is the InChIKey of cis-(1R,2S)-2-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol?
The InChIKey is XEHCPVQWEOQOEQ-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-9-4-3-6-11-13(9)14(17-8-16-11)18-10-5-1-2-7-12(10)19/h3-4,6,8,10,12,19H,1-2,5,7H2,(H,16,17,18)/t10-,12+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol?
cis-(1R,2S)-2-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol has a molecular weight of 261.30 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(5-fluoroquinazolin-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 95622939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).