N-[4-[[9-(2-methoxyethyl)purin-6-yl]amino]phenyl]acetamide

C16H18N6O2 — CID 155799343

IUPACN-[4-[[9-(2-methoxyethyl)purin-6-yl]amino]phenyl]acetamide
SMILESCOCCn1cnc2c(Nc3ccc(NC(C)=O)cc3)ncnc21
InChIInChI=1S/C16H18N6O2/c1-11(23)20-12-3-5-13(6-4-12)21-15-14-16(18-9-17-15)22(10-19-14)7-8-24-2/h3-6,9-10H,7-8H2,1-2H3,(H,20,23)(H,17,18,21)
InChIKeyFPHOTCMVQYQZHW-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.17
Rot. Bonds6

About N-[4-[[9-(2-methoxyethyl)purin-6-yl]amino]phenyl]acetamide

N-[4-[[9-(2-methoxyethyl)purin-6-yl]amino]phenyl]acetamide (PubChem CID 155799343) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[4-[[9-(2-methoxyethyl)purin-6-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[9-(2-methoxyethyl)purin-6-yl]amino]phenyl]acetamide
PubChem CID155799343
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC NameN-[4-[[9-(2-methoxyethyl)purin-6-yl]amino]phenyl]acetamide
SMILESCOCCn1cnc2c(Nc3ccc(NC(C)=O)cc3)ncnc21
InChIInChI=1S/C16H18N6O2/c1-11(23)20-12-3-5-13(6-4-12)21-15-14-16(18-9-17-15)22(10-19-14)7-8-24-2/h3-6,9-10H,7-8H2,1-2H3,(H,20,23)(H,17,18,21)
InChIKeyFPHOTCMVQYQZHW-UHFFFAOYSA-N
XLogP2.17
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[9-(2-methoxyethyl)purin-6-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[9-(2-methoxyethyl)purin-6-yl]amino]phenyl]acetamide (CID 155799343) is N-[4-[[9-(2-methoxyethyl)purin-6-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[9-(2-methoxyethyl)purin-6-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[9-(2-methoxyethyl)purin-6-yl]amino]phenyl]acetamide is COCCn1cnc2c(Nc3ccc(NC(C)=O)cc3)ncnc21.
What is the InChIKey of N-[4-[[9-(2-methoxyethyl)purin-6-yl]amino]phenyl]acetamide?
The InChIKey is FPHOTCMVQYQZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-11(23)20-12-3-5-13(6-4-12)21-15-14-16(18-9-17-15)22(10-19-14)7-8-24-2/h3-6,9-10H,7-8H2,1-2H3,(H,20,23)(H,17,18,21).
What are the key properties of N-[4-[[9-(2-methoxyethyl)purin-6-yl]amino]phenyl]acetamide?
N-[4-[[9-(2-methoxyethyl)purin-6-yl]amino]phenyl]acetamide has a molecular weight of 326.36 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[9-(2-methoxyethyl)purin-6-yl]amino]phenyl]acetamide is sourced from PubChem (CID 155799343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).