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

C12H19N5O — CID 66740771

IUPAC4-[3-(methylamino)azetidin-1-yl]-6-(oxolan-2-yl)pyrimidin-2-amine
SMILESCNC1CN(c2cc(C3CCCO3)nc(N)n2)C1
InChIInChI=1S/C12H19N5O/c1-14-8-6-17(7-8)11-5-9(15-12(13)16-11)10-3-2-4-18-10/h5,8,10,14H,2-4,6-7H2,1H3,(H2,13,15,16)
InChIKeyKFSZYGXFYVUOAU-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.32
Rot. Bonds3

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

4-[3-(methylamino)azetidin-1-yl]-6-(oxolan-2-yl)pyrimidin-2-amine (PubChem CID 66740771) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 4-[3-(methylamino)azetidin-1-yl]-6-(oxolan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(methylamino)azetidin-1-yl]-6-(oxolan-2-yl)pyrimidin-2-amine
PubChem CID66740771
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name4-[3-(methylamino)azetidin-1-yl]-6-(oxolan-2-yl)pyrimidin-2-amine
SMILESCNC1CN(c2cc(C3CCCO3)nc(N)n2)C1
InChIInChI=1S/C12H19N5O/c1-14-8-6-17(7-8)11-5-9(15-12(13)16-11)10-3-2-4-18-10/h5,8,10,14H,2-4,6-7H2,1H3,(H2,13,15,16)
InChIKeyKFSZYGXFYVUOAU-UHFFFAOYSA-N
XLogP0.32
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylamino)azetidin-1-yl]-6-(oxolan-2-yl)pyrimidin-2-amine?
The IUPAC name of 4-[3-(methylamino)azetidin-1-yl]-6-(oxolan-2-yl)pyrimidin-2-amine (CID 66740771) is 4-[3-(methylamino)azetidin-1-yl]-6-(oxolan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-[3-(methylamino)azetidin-1-yl]-6-(oxolan-2-yl)pyrimidin-2-amine?
The canonical SMILES for 4-[3-(methylamino)azetidin-1-yl]-6-(oxolan-2-yl)pyrimidin-2-amine is CNC1CN(c2cc(C3CCCO3)nc(N)n2)C1.
What is the InChIKey of 4-[3-(methylamino)azetidin-1-yl]-6-(oxolan-2-yl)pyrimidin-2-amine?
The InChIKey is KFSZYGXFYVUOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-14-8-6-17(7-8)11-5-9(15-12(13)16-11)10-3-2-4-18-10/h5,8,10,14H,2-4,6-7H2,1H3,(H2,13,15,16).
What are the key properties of 4-[3-(methylamino)azetidin-1-yl]-6-(oxolan-2-yl)pyrimidin-2-amine?
4-[3-(methylamino)azetidin-1-yl]-6-(oxolan-2-yl)pyrimidin-2-amine has a molecular weight of 249.32 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylamino)azetidin-1-yl]-6-(oxolan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 66740771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).