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

C12H24N6 — CID 150204745

IUPAC4-tert-butyl-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine
SMILESCNC1CN(C2=CC(N)(C(C)(C)C)N=C(N)N2)C1
InChIInChI=1S/C12H24N6/c1-11(2,3)12(14)5-9(16-10(13)17-12)18-6-8(7-18)15-4/h5,8,15H,6-7,14H2,1-4H3,(H3,13,16,17)
InChIKeyFQGAAKVJIJGJSK-UHFFFAOYSA-N
MW252.37 g/mol
LogP-0.65
Rot. Bonds2

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

4-tert-butyl-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine (PubChem CID 150204745) has the molecular formula C12H24N6 and a molecular weight of 252.37 g/mol. Its IUPAC name is 4-tert-butyl-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-tert-butyl-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine
PubChem CID150204745
Molecular FormulaC12H24N6
Molecular Weight252.37 g/mol
Exact Mass252.21
IUPAC Name4-tert-butyl-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine
SMILESCNC1CN(C2=CC(N)(C(C)(C)C)N=C(N)N2)C1
InChIInChI=1S/C12H24N6/c1-11(2,3)12(14)5-9(16-10(13)17-12)18-6-8(7-18)15-4/h5,8,15H,6-7,14H2,1-4H3,(H3,13,16,17)
InChIKeyFQGAAKVJIJGJSK-UHFFFAOYSA-N
XLogP-0.65
TPSA91.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 5-0.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-tert-butyl-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine (CID 150204745) is 4-tert-butyl-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-tert-butyl-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-tert-butyl-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine is CNC1CN(C2=CC(N)(C(C)(C)C)N=C(N)N2)C1.
What is the InChIKey of 4-tert-butyl-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine?
The InChIKey is FQGAAKVJIJGJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6/c1-11(2,3)12(14)5-9(16-10(13)17-12)18-6-8(7-18)15-4/h5,8,15H,6-7,14H2,1-4H3,(H3,13,16,17).
What are the key properties of 4-tert-butyl-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine?
4-tert-butyl-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine has a molecular weight of 252.37 g/mol, XLogP of -0.65, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 150204745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).