(1S)-2-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol

C16H18N6O — CID 68872202

IUPAC(1S)-2-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESO[C@H]1CCCCC1Nc1nccc(-n2nnc3ccccc32)n1
InChIInChI=1S/C16H18N6O/c23-14-8-4-2-6-12(14)18-16-17-10-9-15(19-16)22-13-7-3-1-5-11(13)20-21-22/h1,3,5,7,9-10,12,14,23H,2,4,6,8H2,(H,17,18,19)/t12?,14-/m0/s1
InChIKeyKQQSNFDLRKLKGB-PYMCNQPYSA-N
MW310.36 g/mol
LogP1.93
Rot. Bonds3

About (1S)-2-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol

(1S)-2-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol (PubChem CID 68872202) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is (1S)-2-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name(1S)-2-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
PubChem CID68872202
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name(1S)-2-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESO[C@H]1CCCCC1Nc1nccc(-n2nnc3ccccc32)n1
InChIInChI=1S/C16H18N6O/c23-14-8-4-2-6-12(14)18-16-17-10-9-15(19-16)22-13-7-3-1-5-11(13)20-21-22/h1,3,5,7,9-10,12,14,23H,2,4,6,8H2,(H,17,18,19)/t12?,14-/m0/s1
InChIKeyKQQSNFDLRKLKGB-PYMCNQPYSA-N
XLogP1.93
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (1S)-2-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

4-(benzotriazol-1-yl)-N-[(1S,2R)-2-(ethylperoxymethyl)cyclohexyl]pyrimidin-2-amine
CID 89276651
4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-one
CID 59718950
2-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]acetamide
CID 68925962
N-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide;methanesulfonic acid
CID 24823664
4-(benzotriazol-1-yl)-N-[4-(morpholin-4-ylmethyl)cyclohexyl]pyrimidin-2-amine
CID 66696899
4-[[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]methyl]morpholine-3,5-dione
CID 66696890
N-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]-N-methylmethanesulfonamide
CID 24823662
1-[2-[[4-(dimethylsulfamoylamino)cyclohexyl]amino]pyrimidin-4-yl]benzotriazole
CID 59718933
N-[4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexyl]-N-(2-hydroxyethyl)methanesulfonamide
CID 59718952
4-(benzotriazol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
CID 59718934
2-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 66927065
2-[(2-aminoquinazolin-4-yl)amino]cyclohexan-1-ol
CID 80827366

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of (1S)-2-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol (CID 68872202) is (1S)-2-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for (1S)-2-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for (1S)-2-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol is O[C@H]1CCCCC1Nc1nccc(-n2nnc3ccccc32)n1.
What is the InChIKey of (1S)-2-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is KQQSNFDLRKLKGB-PYMCNQPYSA-N. The full InChI is InChI=1S/C16H18N6O/c23-14-8-4-2-6-12(14)18-16-17-10-9-15(19-16)22-13-7-3-1-5-11(13)20-21-22/h1,3,5,7,9-10,12,14,23H,2,4,6,8H2,(H,17,18,19)/t12?,14-/m0/s1.
What are the key properties of (1S)-2-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
(1S)-2-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 310.36 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 68872202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).