N-(azetidin-3-yl)-2,6-dimethyl-N-propylpyrimidin-4-amine

C12H20N4 — CID 66214933

IUPACN-(azetidin-3-yl)-2,6-dimethyl-N-propylpyrimidin-4-amine
SMILESCCCN(c1cc(C)nc(C)n1)C1CNC1
InChIInChI=1S/C12H20N4/c1-4-5-16(11-7-13-8-11)12-6-9(2)14-10(3)15-12/h6,11,13H,4-5,7-8H2,1-3H3
InChIKeyFYOJOGVNDBOFKW-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.28
Rot. Bonds4

About N-(azetidin-3-yl)-2,6-dimethyl-N-propylpyrimidin-4-amine

N-(azetidin-3-yl)-2,6-dimethyl-N-propylpyrimidin-4-amine (PubChem CID 66214933) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2,6-dimethyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2,6-dimethyl-N-propylpyrimidin-4-amine
PubChem CID66214933
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN-(azetidin-3-yl)-2,6-dimethyl-N-propylpyrimidin-4-amine
SMILESCCCN(c1cc(C)nc(C)n1)C1CNC1
InChIInChI=1S/C12H20N4/c1-4-5-16(11-7-13-8-11)12-6-9(2)14-10(3)15-12/h6,11,13H,4-5,7-8H2,1-3H3
InChIKeyFYOJOGVNDBOFKW-UHFFFAOYSA-N
XLogP1.28
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2,6-dimethyl-N-propylpyrimidin-4-amine?
The IUPAC name of N-(azetidin-3-yl)-2,6-dimethyl-N-propylpyrimidin-4-amine (CID 66214933) is N-(azetidin-3-yl)-2,6-dimethyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for N-(azetidin-3-yl)-2,6-dimethyl-N-propylpyrimidin-4-amine?
The canonical SMILES for N-(azetidin-3-yl)-2,6-dimethyl-N-propylpyrimidin-4-amine is CCCN(c1cc(C)nc(C)n1)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-2,6-dimethyl-N-propylpyrimidin-4-amine?
The InChIKey is FYOJOGVNDBOFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-4-5-16(11-7-13-8-11)12-6-9(2)14-10(3)15-12/h6,11,13H,4-5,7-8H2,1-3H3.
What are the key properties of N-(azetidin-3-yl)-2,6-dimethyl-N-propylpyrimidin-4-amine?
N-(azetidin-3-yl)-2,6-dimethyl-N-propylpyrimidin-4-amine has a molecular weight of 220.32 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2,6-dimethyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66214933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).