N-(2-chlorocycloheptyl)-6-propan-2-yloxypyrimidin-4-amine

C14H22ClN3O — CID 113395027

IUPACN-(2-chlorocycloheptyl)-6-propan-2-yloxypyrimidin-4-amine
SMILESCC(C)Oc1cc(NC2CCCCCC2Cl)ncn1
InChIInChI=1S/C14H22ClN3O/c1-10(2)19-14-8-13(16-9-17-14)18-12-7-5-3-4-6-11(12)15/h8-12H,3-7H2,1-2H3,(H,16,17,18)
InChIKeyKEFNHRMVYGWDLP-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.62
Rot. Bonds4

About N-(2-chlorocycloheptyl)-6-propan-2-yloxypyrimidin-4-amine

N-(2-chlorocycloheptyl)-6-propan-2-yloxypyrimidin-4-amine (PubChem CID 113395027) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is N-(2-chlorocycloheptyl)-6-propan-2-yloxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chlorocycloheptyl)-6-propan-2-yloxypyrimidin-4-amine
PubChem CID113395027
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC NameN-(2-chlorocycloheptyl)-6-propan-2-yloxypyrimidin-4-amine
SMILESCC(C)Oc1cc(NC2CCCCCC2Cl)ncn1
InChIInChI=1S/C14H22ClN3O/c1-10(2)19-14-8-13(16-9-17-14)18-12-7-5-3-4-6-11(12)15/h8-12H,3-7H2,1-2H3,(H,16,17,18)
InChIKeyKEFNHRMVYGWDLP-UHFFFAOYSA-N
XLogP3.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-6-propan-2-yloxypyrimidin-4-amine
CID 66326722
N-(6-propan-2-yloxypyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 66331604
N-(1-methylpyrrolidin-3-yl)-6-propan-2-yloxypyrimidin-4-amine
CID 66330565
N-(3,3-dimethylcyclopentyl)-6-propan-2-yloxypyrimidin-4-amine
CID 114547927
N-(1-cyclopropylpropan-2-yl)-6-propan-2-yloxypyrimidin-4-amine
CID 66330794
6-ethoxy-N-(2-ethylcyclohexyl)pyrimidin-4-amine
CID 66328400
N-(2,2-dimethyloxan-4-yl)-6-propan-2-yloxypyrimidin-4-amine
CID 83029026
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-propan-2-yloxypyrimidin-4-amine
CID 66329616
N'-propan-2-yl-N-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine
CID 66334042
N-cyclopropyl-2-[(6-propan-2-yloxypyrimidin-4-yl)amino]acetamide
CID 66328180
N-(2-chlorocyclohexyl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 66324741
6-propan-2-yloxy-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine
CID 66329378

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocycloheptyl)-6-propan-2-yloxypyrimidin-4-amine?
The IUPAC name of N-(2-chlorocycloheptyl)-6-propan-2-yloxypyrimidin-4-amine (CID 113395027) is N-(2-chlorocycloheptyl)-6-propan-2-yloxypyrimidin-4-amine.
What is the SMILES notation for N-(2-chlorocycloheptyl)-6-propan-2-yloxypyrimidin-4-amine?
The canonical SMILES for N-(2-chlorocycloheptyl)-6-propan-2-yloxypyrimidin-4-amine is CC(C)Oc1cc(NC2CCCCCC2Cl)ncn1.
What is the InChIKey of N-(2-chlorocycloheptyl)-6-propan-2-yloxypyrimidin-4-amine?
The InChIKey is KEFNHRMVYGWDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-10(2)19-14-8-13(16-9-17-14)18-12-7-5-3-4-6-11(12)15/h8-12H,3-7H2,1-2H3,(H,16,17,18).
What are the key properties of N-(2-chlorocycloheptyl)-6-propan-2-yloxypyrimidin-4-amine?
N-(2-chlorocycloheptyl)-6-propan-2-yloxypyrimidin-4-amine has a molecular weight of 283.80 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocycloheptyl)-6-propan-2-yloxypyrimidin-4-amine is sourced from PubChem (CID 113395027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).