4-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine

C13H26N6 — CID 143492550

IUPAC4-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine
SMILESCNC1CN(C2=CC(N)(CC(C)(C)C)N=C(N)N2)C1
InChIInChI=1S/C13H26N6/c1-12(2,3)8-13(15)5-10(17-11(14)18-13)19-6-9(7-19)16-4/h5,9,16H,6-8,15H2,1-4H3,(H3,14,17,18)
InChIKeyOYYPTEVAONGJHH-UHFFFAOYSA-N
MW266.39 g/mol
LogP-0.26
Rot. Bonds3

About 4-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine

4-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine (PubChem CID 143492550) has the molecular formula C13H26N6 and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine
PubChem CID143492550
Molecular FormulaC13H26N6
Molecular Weight266.39 g/mol
Exact Mass266.22
IUPAC Name4-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine
SMILESCNC1CN(C2=CC(N)(CC(C)(C)C)N=C(N)N2)C1
InChIInChI=1S/C13H26N6/c1-12(2,3)8-13(15)5-10(17-11(14)18-13)19-6-9(7-19)16-4/h5,9,16H,6-8,15H2,1-4H3,(H3,14,17,18)
InChIKeyOYYPTEVAONGJHH-UHFFFAOYSA-N
XLogP-0.26
TPSA91.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine (CID 143492550) is 4-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine is CNC1CN(C2=CC(N)(CC(C)(C)C)N=C(N)N2)C1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine?
The InChIKey is OYYPTEVAONGJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6/c1-12(2,3)8-13(15)5-10(17-11(14)18-13)19-6-9(7-19)16-4/h5,9,16H,6-8,15H2,1-4H3,(H3,14,17,18).
What are the key properties of 4-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine?
4-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine has a molecular weight of 266.39 g/mol, XLogP of -0.26, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 143492550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).