7-ethyl-4-[3-(methylamino)azetidin-1-yl]pyrido[3,2-d]pyrimidin-2-amine

C13H18N6 — CID 71525678

IUPAC7-ethyl-4-[3-(methylamino)azetidin-1-yl]pyrido[3,2-d]pyrimidin-2-amine
SMILESCCc1cnc2c(N3CC(NC)C3)nc(N)nc2c1
InChIInChI=1S/C13H18N6/c1-3-8-4-10-11(16-5-8)12(18-13(14)17-10)19-6-9(7-19)15-2/h4-5,9,15H,3,6-7H2,1-2H3,(H2,14,17,18)
InChIKeyPREVTMRNRJIUDH-UHFFFAOYSA-N
MW258.33 g/mol
LogP0.58
Rot. Bonds3

About 7-ethyl-4-[3-(methylamino)azetidin-1-yl]pyrido[3,2-d]pyrimidin-2-amine

7-ethyl-4-[3-(methylamino)azetidin-1-yl]pyrido[3,2-d]pyrimidin-2-amine (PubChem CID 71525678) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 7-ethyl-4-[3-(methylamino)azetidin-1-yl]pyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-ethyl-4-[3-(methylamino)azetidin-1-yl]pyrido[3,2-d]pyrimidin-2-amine
PubChem CID71525678
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name7-ethyl-4-[3-(methylamino)azetidin-1-yl]pyrido[3,2-d]pyrimidin-2-amine
SMILESCCc1cnc2c(N3CC(NC)C3)nc(N)nc2c1
InChIInChI=1S/C13H18N6/c1-3-8-4-10-11(16-5-8)12(18-13(14)17-10)19-6-9(7-19)15-2/h4-5,9,15H,3,6-7H2,1-2H3,(H2,14,17,18)
InChIKeyPREVTMRNRJIUDH-UHFFFAOYSA-N
XLogP0.58
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-[3-(methylamino)azetidin-1-yl]pyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 7-ethyl-4-[3-(methylamino)azetidin-1-yl]pyrido[3,2-d]pyrimidin-2-amine (CID 71525678) is 7-ethyl-4-[3-(methylamino)azetidin-1-yl]pyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 7-ethyl-4-[3-(methylamino)azetidin-1-yl]pyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 7-ethyl-4-[3-(methylamino)azetidin-1-yl]pyrido[3,2-d]pyrimidin-2-amine is CCc1cnc2c(N3CC(NC)C3)nc(N)nc2c1.
What is the InChIKey of 7-ethyl-4-[3-(methylamino)azetidin-1-yl]pyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is PREVTMRNRJIUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-3-8-4-10-11(16-5-8)12(18-13(14)17-10)19-6-9(7-19)15-2/h4-5,9,15H,3,6-7H2,1-2H3,(H2,14,17,18).
What are the key properties of 7-ethyl-4-[3-(methylamino)azetidin-1-yl]pyrido[3,2-d]pyrimidin-2-amine?
7-ethyl-4-[3-(methylamino)azetidin-1-yl]pyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 258.33 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-[3-(methylamino)azetidin-1-yl]pyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 71525678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).