5-chloro-N-(3,5-dimethylcyclohexyl)pyrimidin-2-amine

C12H18ClN3 — CID 79557581

IUPAC5-chloro-N-(3,5-dimethylcyclohexyl)pyrimidin-2-amine
SMILESCC1CC(C)CC(Nc2ncc(Cl)cn2)C1
InChIInChI=1S/C12H18ClN3/c1-8-3-9(2)5-11(4-8)16-12-14-6-10(13)7-15-12/h6-9,11H,3-5H2,1-2H3,(H,14,15,16)
InChIKeySPHUDIDLSJAHRT-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.37
Rot. Bonds2

About 5-chloro-N-(3,5-dimethylcyclohexyl)pyrimidin-2-amine

5-chloro-N-(3,5-dimethylcyclohexyl)pyrimidin-2-amine (PubChem CID 79557581) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 5-chloro-N-(3,5-dimethylcyclohexyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(3,5-dimethylcyclohexyl)pyrimidin-2-amine
PubChem CID79557581
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name5-chloro-N-(3,5-dimethylcyclohexyl)pyrimidin-2-amine
SMILESCC1CC(C)CC(Nc2ncc(Cl)cn2)C1
InChIInChI=1S/C12H18ClN3/c1-8-3-9(2)5-11(4-8)16-12-14-6-10(13)7-15-12/h6-9,11H,3-5H2,1-2H3,(H,14,15,16)
InChIKeySPHUDIDLSJAHRT-UHFFFAOYSA-N
XLogP3.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,5-dimethylcyclohexyl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-(3,5-dimethylcyclohexyl)pyrimidin-2-amine (CID 79557581) is 5-chloro-N-(3,5-dimethylcyclohexyl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-(3,5-dimethylcyclohexyl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-(3,5-dimethylcyclohexyl)pyrimidin-2-amine is CC1CC(C)CC(Nc2ncc(Cl)cn2)C1.
What is the InChIKey of 5-chloro-N-(3,5-dimethylcyclohexyl)pyrimidin-2-amine?
The InChIKey is SPHUDIDLSJAHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-8-3-9(2)5-11(4-8)16-12-14-6-10(13)7-15-12/h6-9,11H,3-5H2,1-2H3,(H,14,15,16).
What are the key properties of 5-chloro-N-(3,5-dimethylcyclohexyl)pyrimidin-2-amine?
5-chloro-N-(3,5-dimethylcyclohexyl)pyrimidin-2-amine has a molecular weight of 239.75 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,5-dimethylcyclohexyl)pyrimidin-2-amine is sourced from PubChem (CID 79557581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).