4-[3-methyl-3-(methylamino)azetidin-1-yl]-6-(oxolan-2-yl)pyrimidin-2-amine

C13H21N5O — CID 74948760

IUPAC4-[3-methyl-3-(methylamino)azetidin-1-yl]-6-(oxolan-2-yl)pyrimidin-2-amine
SMILESCNC1(C)CN(c2cc(C3CCCO3)nc(N)n2)C1
InChIInChI=1S/C13H21N5O/c1-13(15-2)7-18(8-13)11-6-9(16-12(14)17-11)10-4-3-5-19-10/h6,10,15H,3-5,7-8H2,1-2H3,(H2,14,16,17)
InChIKeyYJENVYGMROSSLR-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.71
Rot. Bonds3

About 4-[3-methyl-3-(methylamino)azetidin-1-yl]-6-(oxolan-2-yl)pyrimidin-2-amine

4-[3-methyl-3-(methylamino)azetidin-1-yl]-6-(oxolan-2-yl)pyrimidin-2-amine (PubChem CID 74948760) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[3-methyl-3-(methylamino)azetidin-1-yl]-6-(oxolan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-methyl-3-(methylamino)azetidin-1-yl]-6-(oxolan-2-yl)pyrimidin-2-amine
PubChem CID74948760
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name4-[3-methyl-3-(methylamino)azetidin-1-yl]-6-(oxolan-2-yl)pyrimidin-2-amine
SMILESCNC1(C)CN(c2cc(C3CCCO3)nc(N)n2)C1
InChIInChI=1S/C13H21N5O/c1-13(15-2)7-18(8-13)11-6-9(16-12(14)17-11)10-4-3-5-19-10/h6,10,15H,3-5,7-8H2,1-2H3,(H2,14,16,17)
InChIKeyYJENVYGMROSSLR-UHFFFAOYSA-N
XLogP0.71
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-3-(methylamino)azetidin-1-yl]-6-(oxolan-2-yl)pyrimidin-2-amine?
The IUPAC name of 4-[3-methyl-3-(methylamino)azetidin-1-yl]-6-(oxolan-2-yl)pyrimidin-2-amine (CID 74948760) is 4-[3-methyl-3-(methylamino)azetidin-1-yl]-6-(oxolan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-[3-methyl-3-(methylamino)azetidin-1-yl]-6-(oxolan-2-yl)pyrimidin-2-amine?
The canonical SMILES for 4-[3-methyl-3-(methylamino)azetidin-1-yl]-6-(oxolan-2-yl)pyrimidin-2-amine is CNC1(C)CN(c2cc(C3CCCO3)nc(N)n2)C1.
What is the InChIKey of 4-[3-methyl-3-(methylamino)azetidin-1-yl]-6-(oxolan-2-yl)pyrimidin-2-amine?
The InChIKey is YJENVYGMROSSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-13(15-2)7-18(8-13)11-6-9(16-12(14)17-11)10-4-3-5-19-10/h6,10,15H,3-5,7-8H2,1-2H3,(H2,14,16,17).
What are the key properties of 4-[3-methyl-3-(methylamino)azetidin-1-yl]-6-(oxolan-2-yl)pyrimidin-2-amine?
4-[3-methyl-3-(methylamino)azetidin-1-yl]-6-(oxolan-2-yl)pyrimidin-2-amine has a molecular weight of 263.34 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-3-(methylamino)azetidin-1-yl]-6-(oxolan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 74948760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).