[2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol

C12H17ClFN3O — CID 79076621

IUPAC[2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
SMILESOCC1CCCCC1CNc1nc(Cl)ncc1F
InChIInChI=1S/C12H17ClFN3O/c13-12-16-6-10(14)11(17-12)15-5-8-3-1-2-4-9(8)7-18/h6,8-9,18H,1-5,7H2,(H,15,16,17)
InChIKeyAVSOIFBQTIJDHT-UHFFFAOYSA-N
MW273.74 g/mol
LogP2.48
Rot. Bonds4

About [2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol

[2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol (PubChem CID 79076621) has the molecular formula C12H17ClFN3O and a molecular weight of 273.74 g/mol. Its IUPAC name is [2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
PubChem CID79076621
Molecular FormulaC12H17ClFN3O
Molecular Weight273.74 g/mol
Exact Mass273.10
IUPAC Name[2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
SMILESOCC1CCCCC1CNc1nc(Cl)ncc1F
InChIInChI=1S/C12H17ClFN3O/c13-12-16-6-10(14)11(17-12)15-5-8-3-1-2-4-9(8)7-18/h6,8-9,18H,1-5,7H2,(H,15,16,17)
InChIKeyAVSOIFBQTIJDHT-UHFFFAOYSA-N
XLogP2.48
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol with MolForge

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Related Compounds

2-chloro-N-(cyclobutylmethyl)-5-fluoropyrimidin-4-amine
CID 79081830
2-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-5-fluoropyrimidin-4-amine
CID 81039975
[2-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 112675954
2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine
CID 3573094
[2-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 102751354
2-[(1R,4R)-4-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclopent-2-en-1-yl]acetamide
CID 88987089
2-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,2-diamine
CID 88589836
[2-[(5-amino-2-chloropyrimidin-4-yl)amino]cyclohexyl]methanol
CID 114178433
1-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 79075802
2-chloro-N-(1,4-dioxan-2-ylmethyl)-5-fluoropyrimidin-4-amine
CID 79080521
2-chloro-5-fluoro-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 79081086
2-chloro-5-fluoro-N-(2-methylprop-2-enyl)pyrimidin-4-amine
CID 106196739

Frequently Asked Questions

What is the IUPAC name of [2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol (CID 79076621) is [2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol is OCC1CCCCC1CNc1nc(Cl)ncc1F.
What is the InChIKey of [2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
The InChIKey is AVSOIFBQTIJDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFN3O/c13-12-16-6-10(14)11(17-12)15-5-8-3-1-2-4-9(8)7-18/h6,8-9,18H,1-5,7H2,(H,15,16,17).
What are the key properties of [2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
[2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol has a molecular weight of 273.74 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 79076621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).