4-[(2,6-dichloropyrimidin-4-yl)amino]cyclohexan-1-ol

C10H13Cl2N3O — CID 52904812

IUPAC4-[(2,6-dichloropyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2cc(Cl)nc(Cl)n2)CC1
InChIInChI=1S/C10H13Cl2N3O/c11-8-5-9(15-10(12)14-8)13-6-1-3-7(16)4-2-6/h5-7,16H,1-4H2,(H,13,14,15)
InChIKeyAVVHBEKDMWBYNI-UHFFFAOYSA-N
MW262.14 g/mol
LogP2.50
Rot. Bonds2

About 4-[(2,6-dichloropyrimidin-4-yl)amino]cyclohexan-1-ol

4-[(2,6-dichloropyrimidin-4-yl)amino]cyclohexan-1-ol (PubChem CID 52904812) has the molecular formula C10H13Cl2N3O and a molecular weight of 262.14 g/mol. Its IUPAC name is 4-[(2,6-dichloropyrimidin-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(2,6-dichloropyrimidin-4-yl)amino]cyclohexan-1-ol
PubChem CID52904812
Molecular FormulaC10H13Cl2N3O
Molecular Weight262.14 g/mol
Exact Mass261.04
IUPAC Name4-[(2,6-dichloropyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2cc(Cl)nc(Cl)n2)CC1
InChIInChI=1S/C10H13Cl2N3O/c11-8-5-9(15-10(12)14-8)13-6-1-3-7(16)4-2-6/h5-7,16H,1-4H2,(H,13,14,15)
InChIKeyAVVHBEKDMWBYNI-UHFFFAOYSA-N
XLogP2.50
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichloropyrimidin-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(2,6-dichloropyrimidin-4-yl)amino]cyclohexan-1-ol (CID 52904812) is 4-[(2,6-dichloropyrimidin-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(2,6-dichloropyrimidin-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(2,6-dichloropyrimidin-4-yl)amino]cyclohexan-1-ol is OC1CCC(Nc2cc(Cl)nc(Cl)n2)CC1.
What is the InChIKey of 4-[(2,6-dichloropyrimidin-4-yl)amino]cyclohexan-1-ol?
The InChIKey is AVVHBEKDMWBYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3O/c11-8-5-9(15-10(12)14-8)13-6-1-3-7(16)4-2-6/h5-7,16H,1-4H2,(H,13,14,15).
What are the key properties of 4-[(2,6-dichloropyrimidin-4-yl)amino]cyclohexan-1-ol?
4-[(2,6-dichloropyrimidin-4-yl)amino]cyclohexan-1-ol has a molecular weight of 262.14 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichloropyrimidin-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 52904812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).