N-[8-chloro-4-[3-(methylamino)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]acetamide

C16H16ClN5O2 — CID 24758547

IUPACN-[8-chloro-4-[3-(methylamino)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]acetamide
SMILESCNC1CN(c2nc(NC(C)=O)nc3c2oc2ccc(Cl)cc23)C1
InChIInChI=1S/C16H16ClN5O2/c1-8(23)19-16-20-13-11-5-9(17)3-4-12(11)24-14(13)15(21-16)22-6-10(7-22)18-2/h3-5,10,18H,6-7H2,1-2H3,(H,19,20,21,23)
InChIKeyYQHYNDVSPWUIHI-UHFFFAOYSA-N
MW345.79 g/mol
LogP2.40
Rot. Bonds3

About N-[8-chloro-4-[3-(methylamino)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]acetamide

N-[8-chloro-4-[3-(methylamino)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]acetamide (PubChem CID 24758547) has the molecular formula C16H16ClN5O2 and a molecular weight of 345.79 g/mol. Its IUPAC name is N-[8-chloro-4-[3-(methylamino)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[8-chloro-4-[3-(methylamino)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]acetamide
PubChem CID24758547
Molecular FormulaC16H16ClN5O2
Molecular Weight345.79 g/mol
Exact Mass345.10
IUPAC NameN-[8-chloro-4-[3-(methylamino)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]acetamide
SMILESCNC1CN(c2nc(NC(C)=O)nc3c2oc2ccc(Cl)cc23)C1
InChIInChI=1S/C16H16ClN5O2/c1-8(23)19-16-20-13-11-5-9(17)3-4-12(11)24-14(13)15(21-16)22-6-10(7-22)18-2/h3-5,10,18H,6-7H2,1-2H3,(H,19,20,21,23)
InChIKeyYQHYNDVSPWUIHI-UHFFFAOYSA-N
XLogP2.40
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[8-chloro-4-[3-(methylamino)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]acetamide?
The IUPAC name of N-[8-chloro-4-[3-(methylamino)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]acetamide (CID 24758547) is N-[8-chloro-4-[3-(methylamino)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[8-chloro-4-[3-(methylamino)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[8-chloro-4-[3-(methylamino)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]acetamide is CNC1CN(c2nc(NC(C)=O)nc3c2oc2ccc(Cl)cc23)C1.
What is the InChIKey of N-[8-chloro-4-[3-(methylamino)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]acetamide?
The InChIKey is YQHYNDVSPWUIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O2/c1-8(23)19-16-20-13-11-5-9(17)3-4-12(11)24-14(13)15(21-16)22-6-10(7-22)18-2/h3-5,10,18H,6-7H2,1-2H3,(H,19,20,21,23).
What are the key properties of N-[8-chloro-4-[3-(methylamino)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]acetamide?
N-[8-chloro-4-[3-(methylamino)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]acetamide has a molecular weight of 345.79 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-chloro-4-[3-(methylamino)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]acetamide is sourced from PubChem (CID 24758547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).