N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylpyrimidin-4-amine

C13H21N3O — CID 103703320

IUPACN-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylpyrimidin-4-amine
SMILESCCOC1CC(Nc2ccnc(C)n2)C1(C)C
InChIInChI=1S/C13H21N3O/c1-5-17-11-8-10(13(11,3)4)16-12-6-7-14-9(2)15-12/h6-7,10-11H,5,8H2,1-4H3,(H,14,15,16)
InChIKeyBUBWSYSMPDYRHM-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.40
Rot. Bonds4

About N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylpyrimidin-4-amine

N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylpyrimidin-4-amine (PubChem CID 103703320) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylpyrimidin-4-amine
PubChem CID103703320
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylpyrimidin-4-amine
SMILESCCOC1CC(Nc2ccnc(C)n2)C1(C)C
InChIInChI=1S/C13H21N3O/c1-5-17-11-8-10(13(11,3)4)16-12-6-7-14-9(2)15-12/h6-7,10-11H,5,8H2,1-4H3,(H,14,15,16)
InChIKeyBUBWSYSMPDYRHM-UHFFFAOYSA-N
XLogP2.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylpyrimidin-4-amine?
The IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylpyrimidin-4-amine (CID 103703320) is N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylpyrimidin-4-amine is CCOC1CC(Nc2ccnc(C)n2)C1(C)C.
What is the InChIKey of N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylpyrimidin-4-amine?
The InChIKey is BUBWSYSMPDYRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-5-17-11-8-10(13(11,3)4)16-12-6-7-14-9(2)15-12/h6-7,10-11H,5,8H2,1-4H3,(H,14,15,16).
What are the key properties of N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylpyrimidin-4-amine?
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylpyrimidin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 103703320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).