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

C10H20N6 — CID 143492567

IUPAC4-ethyl-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine
SMILESCCC1(N)C=C(N2CC(NC)C2)NC(N)=N1
InChIInChI=1S/C10H20N6/c1-3-10(12)4-8(14-9(11)15-10)16-5-7(6-16)13-2/h4,7,13H,3,5-6,12H2,1-2H3,(H3,11,14,15)
InChIKeyYCSISGSDLXMPFS-UHFFFAOYSA-N
MW224.31 g/mol
LogP-1.29
Rot. Bonds3

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

4-ethyl-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine (PubChem CID 143492567) has the molecular formula C10H20N6 and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-ethyl-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-ethyl-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine
PubChem CID143492567
Molecular FormulaC10H20N6
Molecular Weight224.31 g/mol
Exact Mass224.17
IUPAC Name4-ethyl-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine
SMILESCCC1(N)C=C(N2CC(NC)C2)NC(N)=N1
InChIInChI=1S/C10H20N6/c1-3-10(12)4-8(14-9(11)15-10)16-5-7(6-16)13-2/h4,7,13H,3,5-6,12H2,1-2H3,(H3,11,14,15)
InChIKeyYCSISGSDLXMPFS-UHFFFAOYSA-N
XLogP-1.29
TPSA91.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-1.29
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-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-ethyl-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine (CID 143492567) is 4-ethyl-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-ethyl-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-ethyl-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine is CCC1(N)C=C(N2CC(NC)C2)NC(N)=N1.
What is the InChIKey of 4-ethyl-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine?
The InChIKey is YCSISGSDLXMPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6/c1-3-10(12)4-8(14-9(11)15-10)16-5-7(6-16)13-2/h4,7,13H,3,5-6,12H2,1-2H3,(H3,11,14,15).
What are the key properties of 4-ethyl-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine?
4-ethyl-6-[3-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine has a molecular weight of 224.31 g/mol, XLogP of -1.29, 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-(methylamino)azetidin-1-yl]-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 143492567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).