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

C15H19N5 — CID 11184773

IUPAC4-[3-(methylamino)azetidin-1-yl]-6-(4-methylphenyl)pyrimidin-2-amine
SMILESCNC1CN(c2cc(-c3ccc(C)cc3)nc(N)n2)C1
InChIInChI=1S/C15H19N5/c1-10-3-5-11(6-4-10)13-7-14(19-15(16)18-13)20-8-12(9-20)17-2/h3-7,12,17H,8-9H2,1-2H3,(H2,16,18,19)
InChIKeyUEHIVFDGIJNBIG-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.44
Rot. Bonds3

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

4-[3-(methylamino)azetidin-1-yl]-6-(4-methylphenyl)pyrimidin-2-amine (PubChem CID 11184773) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-[3-(methylamino)azetidin-1-yl]-6-(4-methylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(methylamino)azetidin-1-yl]-6-(4-methylphenyl)pyrimidin-2-amine
PubChem CID11184773
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name4-[3-(methylamino)azetidin-1-yl]-6-(4-methylphenyl)pyrimidin-2-amine
SMILESCNC1CN(c2cc(-c3ccc(C)cc3)nc(N)n2)C1
InChIInChI=1S/C15H19N5/c1-10-3-5-11(6-4-10)13-7-14(19-15(16)18-13)20-8-12(9-20)17-2/h3-7,12,17H,8-9H2,1-2H3,(H2,16,18,19)
InChIKeyUEHIVFDGIJNBIG-UHFFFAOYSA-N
XLogP1.44
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylamino)azetidin-1-yl]-6-(4-methylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-[3-(methylamino)azetidin-1-yl]-6-(4-methylphenyl)pyrimidin-2-amine (CID 11184773) is 4-[3-(methylamino)azetidin-1-yl]-6-(4-methylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[3-(methylamino)azetidin-1-yl]-6-(4-methylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-[3-(methylamino)azetidin-1-yl]-6-(4-methylphenyl)pyrimidin-2-amine is CNC1CN(c2cc(-c3ccc(C)cc3)nc(N)n2)C1.
What is the InChIKey of 4-[3-(methylamino)azetidin-1-yl]-6-(4-methylphenyl)pyrimidin-2-amine?
The InChIKey is UEHIVFDGIJNBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-10-3-5-11(6-4-10)13-7-14(19-15(16)18-13)20-8-12(9-20)17-2/h3-7,12,17H,8-9H2,1-2H3,(H2,16,18,19).
What are the key properties of 4-[3-(methylamino)azetidin-1-yl]-6-(4-methylphenyl)pyrimidin-2-amine?
4-[3-(methylamino)azetidin-1-yl]-6-(4-methylphenyl)pyrimidin-2-amine has a molecular weight of 269.35 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylamino)azetidin-1-yl]-6-(4-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 11184773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).