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

C11H22N6 — CID 150857450

IUPAC4-ethyl-6-[3-methyl-3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine
SMILESCCC1(N)C=C(N2CC(C)(NC)C2)NC(N)=N1
InChIInChI=1S/C11H22N6/c1-4-11(13)5-8(15-9(12)16-11)17-6-10(2,7-17)14-3/h5,14H,4,6-7,13H2,1-3H3,(H3,12,15,16)
InChIKeyKRHOKOSYJXYVNK-UHFFFAOYSA-N
MW238.34 g/mol
LogP-0.90
Rot. Bonds3

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

4-ethyl-6-[3-methyl-3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine (PubChem CID 150857450) has the molecular formula C11H22N6 and a molecular weight of 238.34 g/mol. Its IUPAC name is 4-ethyl-6-[3-methyl-3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-ethyl-6-[3-methyl-3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine
PubChem CID150857450
Molecular FormulaC11H22N6
Molecular Weight238.34 g/mol
Exact Mass238.19
IUPAC Name4-ethyl-6-[3-methyl-3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine
SMILESCCC1(N)C=C(N2CC(C)(NC)C2)NC(N)=N1
InChIInChI=1S/C11H22N6/c1-4-11(13)5-8(15-9(12)16-11)17-6-10(2,7-17)14-3/h5,14H,4,6-7,13H2,1-3H3,(H3,12,15,16)
InChIKeyKRHOKOSYJXYVNK-UHFFFAOYSA-N
XLogP-0.90
TPSA91.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 5-0.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[3-methyl-3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-ethyl-6-[3-methyl-3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine (CID 150857450) is 4-ethyl-6-[3-methyl-3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-ethyl-6-[3-methyl-3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-ethyl-6-[3-methyl-3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine is CCC1(N)C=C(N2CC(C)(NC)C2)NC(N)=N1.
What is the InChIKey of 4-ethyl-6-[3-methyl-3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine?
The InChIKey is KRHOKOSYJXYVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6/c1-4-11(13)5-8(15-9(12)16-11)17-6-10(2,7-17)14-3/h5,14H,4,6-7,13H2,1-3H3,(H3,12,15,16).
What are the key properties of 4-ethyl-6-[3-methyl-3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine?
4-ethyl-6-[3-methyl-3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine has a molecular weight of 238.34 g/mol, XLogP of -0.90, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[3-methyl-3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 150857450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).