1-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

C11H15ClFN3O — CID 79075802

IUPAC1-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESOC1(CNc2nc(Cl)ncc2F)CCCCC1
InChIInChI=1S/C11H15ClFN3O/c12-10-14-6-8(13)9(16-10)15-7-11(17)4-2-1-3-5-11/h6,17H,1-5,7H2,(H,14,15,16)
InChIKeyGRVMNDPGJBRHJW-UHFFFAOYSA-N
MW259.71 g/mol
LogP2.38
Rot. Bonds3

About 1-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

1-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 79075802) has the molecular formula C11H15ClFN3O and a molecular weight of 259.71 g/mol. Its IUPAC name is 1-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID79075802
Molecular FormulaC11H15ClFN3O
Molecular Weight259.71 g/mol
Exact Mass259.09
IUPAC Name1-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESOC1(CNc2nc(Cl)ncc2F)CCCCC1
InChIInChI=1S/C11H15ClFN3O/c12-10-14-6-8(13)9(16-10)15-7-11(17)4-2-1-3-5-11/h6,17H,1-5,7H2,(H,14,15,16)
InChIKeyGRVMNDPGJBRHJW-UHFFFAOYSA-N
XLogP2.38
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 79073024
1-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 80842338
1-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]cycloheptan-1-ol
CID 79728355
1-[[(3-chloropyrazin-2-yl)amino]methyl]cycloheptan-1-ol
CID 65122500
1-[[(2-chloropyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 65122552
1-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 80843585
1-[[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80915223
4-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 81131918
1-[[(3-chloropyrazin-2-yl)amino]methyl]cyclopentan-1-ol
CID 65108811
2-chloro-N-(cyclobutylmethyl)-5-fluoropyrimidin-4-amine
CID 79081830
1-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 114835960
1-[[(5-chloro-2-methoxypyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 80757941

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (CID 79075802) is 1-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is OC1(CNc2nc(Cl)ncc2F)CCCCC1.
What is the InChIKey of 1-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is GRVMNDPGJBRHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN3O/c12-10-14-6-8(13)9(16-10)15-7-11(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-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
1-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 259.71 g/mol, XLogP of 2.38, 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-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 79075802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).