2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-6-methylcyclohexan-1-ol

C11H15ClFN3O — CID 174643775

IUPAC2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-6-methylcyclohexan-1-ol
SMILESCC1CCCC(Nc2nc(Cl)ncc2F)C1O
InChIInChI=1S/C11H15ClFN3O/c1-6-3-2-4-8(9(6)17)15-10-7(13)5-14-11(12)16-10/h5-6,8-9,17H,2-4H2,1H3,(H,14,15,16)
InChIKeyCUXGKDKBXMYUOU-UHFFFAOYSA-N
MW259.71 g/mol
LogP2.23
Rot. Bonds2

About 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-6-methylcyclohexan-1-ol

2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-6-methylcyclohexan-1-ol (PubChem CID 174643775) has the molecular formula C11H15ClFN3O and a molecular weight of 259.71 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-6-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-6-methylcyclohexan-1-ol
PubChem CID174643775
Molecular FormulaC11H15ClFN3O
Molecular Weight259.71 g/mol
Exact Mass259.09
IUPAC Name2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-6-methylcyclohexan-1-ol
SMILESCC1CCCC(Nc2nc(Cl)ncc2F)C1O
InChIInChI=1S/C11H15ClFN3O/c1-6-3-2-4-8(9(6)17)15-10-7(13)5-14-11(12)16-10/h5-6,8-9,17H,2-4H2,1H3,(H,14,15,16)
InChIKeyCUXGKDKBXMYUOU-UHFFFAOYSA-N
XLogP2.23
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-6-methylcyclohexan-1-ol?
The IUPAC name of 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-6-methylcyclohexan-1-ol (CID 174643775) is 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-6-methylcyclohexan-1-ol.
What is the SMILES notation for 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-6-methylcyclohexan-1-ol?
The canonical SMILES for 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-6-methylcyclohexan-1-ol is CC1CCCC(Nc2nc(Cl)ncc2F)C1O.
What is the InChIKey of 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-6-methylcyclohexan-1-ol?
The InChIKey is CUXGKDKBXMYUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN3O/c1-6-3-2-4-8(9(6)17)15-10-7(13)5-14-11(12)16-10/h5-6,8-9,17H,2-4H2,1H3,(H,14,15,16).
What are the key properties of 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-6-methylcyclohexan-1-ol?
2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-6-methylcyclohexan-1-ol has a molecular weight of 259.71 g/mol, XLogP of 2.23, 2 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]-6-methylcyclohexan-1-ol is sourced from PubChem (CID 174643775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).