[1-[(2-chloro-5-iodopyrimidin-4-yl)amino]cyclohexyl]methanol

C11H15ClIN3O — CID 138598108

IUPAC[1-[(2-chloro-5-iodopyrimidin-4-yl)amino]cyclohexyl]methanol
SMILESOCC1(Nc2nc(Cl)ncc2I)CCCCC1
InChIInChI=1S/C11H15ClIN3O/c12-10-14-6-8(13)9(15-10)16-11(7-17)4-2-1-3-5-11/h6,17H,1-5,7H2,(H,14,15,16)
InChIKeyROLJAAMECCOWRB-UHFFFAOYSA-N
MW367.62 g/mol
LogP2.84
Rot. Bonds3

About [1-[(2-chloro-5-iodopyrimidin-4-yl)amino]cyclohexyl]methanol

[1-[(2-chloro-5-iodopyrimidin-4-yl)amino]cyclohexyl]methanol (PubChem CID 138598108) has the molecular formula C11H15ClIN3O and a molecular weight of 367.62 g/mol. Its IUPAC name is [1-[(2-chloro-5-iodopyrimidin-4-yl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(2-chloro-5-iodopyrimidin-4-yl)amino]cyclohexyl]methanol
PubChem CID138598108
Molecular FormulaC11H15ClIN3O
Molecular Weight367.62 g/mol
Exact Mass366.99
IUPAC Name[1-[(2-chloro-5-iodopyrimidin-4-yl)amino]cyclohexyl]methanol
SMILESOCC1(Nc2nc(Cl)ncc2I)CCCCC1
InChIInChI=1S/C11H15ClIN3O/c12-10-14-6-8(13)9(15-10)16-11(7-17)4-2-1-3-5-11/h6,17H,1-5,7H2,(H,14,15,16)
InChIKeyROLJAAMECCOWRB-UHFFFAOYSA-N
XLogP2.84
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.62
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-((2-Chloro-5-fluoropyrimidin-4-ylamino)methyl)cyclohexanol
CID 79075802
2-[[(2-Chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 79076822
(2R)-2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 126687066
[3-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol
CID 135244643
(1R,2S,6R)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-6-methylcyclohexan-1-ol
CID 141284467
[(3S)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol
CID 144111285
2-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]-6-methylcyclohexan-1-ol
CID 174643775
[2-[[(2-Chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 79076516
[2-[[(2-Chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 79076621
2-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol
CID 79080644
[1-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]cyclopentyl]methanol
CID 79081273
2-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]-2-ethylbutan-1-ol
CID 79081274

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-5-iodopyrimidin-4-yl)amino]cyclohexyl]methanol?
The IUPAC name of [1-[(2-chloro-5-iodopyrimidin-4-yl)amino]cyclohexyl]methanol (CID 138598108) is [1-[(2-chloro-5-iodopyrimidin-4-yl)amino]cyclohexyl]methanol.
What is the SMILES notation for [1-[(2-chloro-5-iodopyrimidin-4-yl)amino]cyclohexyl]methanol?
The canonical SMILES for [1-[(2-chloro-5-iodopyrimidin-4-yl)amino]cyclohexyl]methanol is OCC1(Nc2nc(Cl)ncc2I)CCCCC1.
What is the InChIKey of [1-[(2-chloro-5-iodopyrimidin-4-yl)amino]cyclohexyl]methanol?
The InChIKey is ROLJAAMECCOWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClIN3O/c12-10-14-6-8(13)9(15-10)16-11(7-17)4-2-1-3-5-11/h6,17H,1-5,7H2,(H,14,15,16).
What are the key properties of [1-[(2-chloro-5-iodopyrimidin-4-yl)amino]cyclohexyl]methanol?
[1-[(2-chloro-5-iodopyrimidin-4-yl)amino]cyclohexyl]methanol has a molecular weight of 367.62 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloro-5-iodopyrimidin-4-yl)amino]cyclohexyl]methanol is sourced from PubChem (CID 138598108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).