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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Related Compounds

4-[(2,6-dichloro-4-pyridinyl)amino]cyclohexan-1-ol
CID 87174143
4-[(2-chloro-6-phenylpyrimidin-4-yl)amino]cyclohexan-1-ol;ethane
CID 143206200
2-chloro-N-cyclopropyl-6-methylpyrimidin-4-amine
CID 53346646
4-[[6-chloro-2-[3-(hydroxymethyl)pyrazol-1-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 139300317
6-chloro-N-cyclopropyl-2-phenylpyrimidin-4-amine
CID 112559616
4-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol
CID 103721709
4-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80932012
4-[(7-chloro-4-methylquinolin-2-yl)amino]cyclohexan-1-ol
CID 31196506
4-[[6-(cyclobutylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 115265146
4-[(5-chloro-4-iodo-2-pyridinyl)amino]cyclohexan-1-ol
CID 66937023
4-[(5,6-diamino-2-pyridinyl)amino]cyclohexan-1-ol
CID 79822536
4-[(4-chloro-1,3-thiazol-2-yl)amino]cyclohexan-1-ol
CID 83152279

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).