N-(3,3-dimethylcyclopentyl)-6-propan-2-yloxypyrimidin-4-amine

C14H23N3O — CID 114547927

IUPACN-(3,3-dimethylcyclopentyl)-6-propan-2-yloxypyrimidin-4-amine
SMILESCC(C)Oc1cc(NC2CCC(C)(C)C2)ncn1
InChIInChI=1S/C14H23N3O/c1-10(2)18-13-7-12(15-9-16-13)17-11-5-6-14(3,4)8-11/h7,9-11H,5-6,8H2,1-4H3,(H,15,16,17)
InChIKeyMCMKNCBSMWNWSP-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.25
Rot. Bonds4

About N-(3,3-dimethylcyclopentyl)-6-propan-2-yloxypyrimidin-4-amine

N-(3,3-dimethylcyclopentyl)-6-propan-2-yloxypyrimidin-4-amine (PubChem CID 114547927) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-6-propan-2-yloxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-6-propan-2-yloxypyrimidin-4-amine
PubChem CID114547927
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(3,3-dimethylcyclopentyl)-6-propan-2-yloxypyrimidin-4-amine
SMILESCC(C)Oc1cc(NC2CCC(C)(C)C2)ncn1
InChIInChI=1S/C14H23N3O/c1-10(2)18-13-7-12(15-9-16-13)17-11-5-6-14(3,4)8-11/h7,9-11H,5-6,8H2,1-4H3,(H,15,16,17)
InChIKeyMCMKNCBSMWNWSP-UHFFFAOYSA-N
XLogP3.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethyloxan-4-yl)-6-propan-2-yloxypyrimidin-4-amine
CID 83029026
N-cyclohexyl-6-propan-2-yloxypyrimidin-4-amine
CID 66326722
N-(3,3-dimethylcyclopentyl)-6-ethylpyrimidin-4-amine
CID 115880999
N-(1-methylpyrrolidin-3-yl)-6-propan-2-yloxypyrimidin-4-amine
CID 66330565
N-(1-cyclopropylpropan-2-yl)-6-propan-2-yloxypyrimidin-4-amine
CID 66330794
N-(6-propan-2-yloxypyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 66331604
N-(2-chlorocycloheptyl)-6-propan-2-yloxypyrimidin-4-amine
CID 113395027
3-N-(3,3-dimethylcyclopentyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 114543343
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-propan-2-yloxypyrimidin-4-amine
CID 66329616
N-cyclopropyl-2-[(6-propan-2-yloxypyrimidin-4-yl)amino]acetamide
CID 66328180
6-(4,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-4-amine
CID 114342901
N-(2,2-dimethyloxan-4-yl)-6-propoxypyrimidin-4-amine
CID 83029099

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-6-propan-2-yloxypyrimidin-4-amine?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-6-propan-2-yloxypyrimidin-4-amine (CID 114547927) is N-(3,3-dimethylcyclopentyl)-6-propan-2-yloxypyrimidin-4-amine.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-6-propan-2-yloxypyrimidin-4-amine?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-6-propan-2-yloxypyrimidin-4-amine is CC(C)Oc1cc(NC2CCC(C)(C)C2)ncn1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-6-propan-2-yloxypyrimidin-4-amine?
The InChIKey is MCMKNCBSMWNWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(2)18-13-7-12(15-9-16-13)17-11-5-6-14(3,4)8-11/h7,9-11H,5-6,8H2,1-4H3,(H,15,16,17).
What are the key properties of N-(3,3-dimethylcyclopentyl)-6-propan-2-yloxypyrimidin-4-amine?
N-(3,3-dimethylcyclopentyl)-6-propan-2-yloxypyrimidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-6-propan-2-yloxypyrimidin-4-amine is sourced from PubChem (CID 114547927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).