N-[(3-aminocyclobutyl)methyl]-6-ethoxy-N,5-dimethylpyrimidin-4-amine

C13H22N4O — CID 66324953

IUPACN-[(3-aminocyclobutyl)methyl]-6-ethoxy-N,5-dimethylpyrimidin-4-amine
SMILESCCOc1ncnc(N(C)CC2CC(N)C2)c1C
InChIInChI=1S/C13H22N4O/c1-4-18-13-9(2)12(15-8-16-13)17(3)7-10-5-11(14)6-10/h8,10-11H,4-7,14H2,1-3H3
InChIKeyYBOAUUUWVPPHMF-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.36
Rot. Bonds5

About N-[(3-aminocyclobutyl)methyl]-6-ethoxy-N,5-dimethylpyrimidin-4-amine

N-[(3-aminocyclobutyl)methyl]-6-ethoxy-N,5-dimethylpyrimidin-4-amine (PubChem CID 66324953) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[(3-aminocyclobutyl)methyl]-6-ethoxy-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-aminocyclobutyl)methyl]-6-ethoxy-N,5-dimethylpyrimidin-4-amine
PubChem CID66324953
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[(3-aminocyclobutyl)methyl]-6-ethoxy-N,5-dimethylpyrimidin-4-amine
SMILESCCOc1ncnc(N(C)CC2CC(N)C2)c1C
InChIInChI=1S/C13H22N4O/c1-4-18-13-9(2)12(15-8-16-13)17(3)7-10-5-11(14)6-10/h8,10-11H,4-7,14H2,1-3H3
InChIKeyYBOAUUUWVPPHMF-UHFFFAOYSA-N
XLogP1.36
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclobutyl)methyl]-6-ethoxy-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of N-[(3-aminocyclobutyl)methyl]-6-ethoxy-N,5-dimethylpyrimidin-4-amine (CID 66324953) is N-[(3-aminocyclobutyl)methyl]-6-ethoxy-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-[(3-aminocyclobutyl)methyl]-6-ethoxy-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for N-[(3-aminocyclobutyl)methyl]-6-ethoxy-N,5-dimethylpyrimidin-4-amine is CCOc1ncnc(N(C)CC2CC(N)C2)c1C.
What is the InChIKey of N-[(3-aminocyclobutyl)methyl]-6-ethoxy-N,5-dimethylpyrimidin-4-amine?
The InChIKey is YBOAUUUWVPPHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-18-13-9(2)12(15-8-16-13)17(3)7-10-5-11(14)6-10/h8,10-11H,4-7,14H2,1-3H3.
What are the key properties of N-[(3-aminocyclobutyl)methyl]-6-ethoxy-N,5-dimethylpyrimidin-4-amine?
N-[(3-aminocyclobutyl)methyl]-6-ethoxy-N,5-dimethylpyrimidin-4-amine has a molecular weight of 250.35 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclobutyl)methyl]-6-ethoxy-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 66324953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).