6-[7-[3-(methylamino)azetidin-1-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine

C15H17N7 — CID 175732600

IUPAC6-[7-[3-(methylamino)azetidin-1-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
SMILESCNC1CN(c2ccn3c(-c4cc(N)ncn4)cnc3c2)C1
InChIInChI=1S/C15H17N7/c1-17-10-7-21(8-10)11-2-3-22-13(6-18-15(22)4-11)12-5-14(16)20-9-19-12/h2-6,9-10,17H,7-8H2,1H3,(H2,16,19,20)
InChIKeyDCVHXGQQGKMRCO-UHFFFAOYSA-N
MW295.35 g/mol
LogP0.78
Rot. Bonds3

About 6-[7-[3-(methylamino)azetidin-1-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine

6-[7-[3-(methylamino)azetidin-1-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine (PubChem CID 175732600) has the molecular formula C15H17N7 and a molecular weight of 295.35 g/mol. Its IUPAC name is 6-[7-[3-(methylamino)azetidin-1-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[7-[3-(methylamino)azetidin-1-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
PubChem CID175732600
Molecular FormulaC15H17N7
Molecular Weight295.35 g/mol
Exact Mass295.15
IUPAC Name6-[7-[3-(methylamino)azetidin-1-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
SMILESCNC1CN(c2ccn3c(-c4cc(N)ncn4)cnc3c2)C1
InChIInChI=1S/C15H17N7/c1-17-10-7-21(8-10)11-2-3-22-13(6-18-15(22)4-11)12-5-14(16)20-9-19-12/h2-6,9-10,17H,7-8H2,1H3,(H2,16,19,20)
InChIKeyDCVHXGQQGKMRCO-UHFFFAOYSA-N
XLogP0.78
TPSA84.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[7-[3-(methylamino)azetidin-1-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-[7-[3-(methylamino)azetidin-1-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine (CID 175732600) is 6-[7-[3-(methylamino)azetidin-1-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-[7-[3-(methylamino)azetidin-1-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-[7-[3-(methylamino)azetidin-1-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine is CNC1CN(c2ccn3c(-c4cc(N)ncn4)cnc3c2)C1.
What is the InChIKey of 6-[7-[3-(methylamino)azetidin-1-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?
The InChIKey is DCVHXGQQGKMRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7/c1-17-10-7-21(8-10)11-2-3-22-13(6-18-15(22)4-11)12-5-14(16)20-9-19-12/h2-6,9-10,17H,7-8H2,1H3,(H2,16,19,20).
What are the key properties of 6-[7-[3-(methylamino)azetidin-1-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?
6-[7-[3-(methylamino)azetidin-1-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine has a molecular weight of 295.35 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-[3-(methylamino)azetidin-1-yl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 175732600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).