N-[4-(5-acetyl-2-amino-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)phenyl]acetamide

C16H18N6O3 — CID 136711734

IUPACN-[4-(5-acetyl-2-amino-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2CNc3nc(N)[nH]c(=O)c3N2C(C)=O)cc1
InChIInChI=1S/C16H18N6O3/c1-8(23)19-11-5-3-10(4-6-11)12-7-18-14-13(22(12)9(2)24)15(25)21-16(17)20-14/h3-6,12H,7H2,1-2H3,(H,19,23)(H4,17,18,20,21,25)
InChIKeyTVTRFSFAVMGJJW-UHFFFAOYSA-N
MW342.36 g/mol
LogP0.83
Rot. Bonds2

About N-[4-(5-acetyl-2-amino-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)phenyl]acetamide

N-[4-(5-acetyl-2-amino-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)phenyl]acetamide (PubChem CID 136711734) has the molecular formula C16H18N6O3 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-[4-(5-acetyl-2-amino-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(5-acetyl-2-amino-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)phenyl]acetamide
PubChem CID136711734
Molecular FormulaC16H18N6O3
Molecular Weight342.36 g/mol
Exact Mass342.14
IUPAC NameN-[4-(5-acetyl-2-amino-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2CNc3nc(N)[nH]c(=O)c3N2C(C)=O)cc1
InChIInChI=1S/C16H18N6O3/c1-8(23)19-11-5-3-10(4-6-11)12-7-18-14-13(22(12)9(2)24)15(25)21-16(17)20-14/h3-6,12H,7H2,1-2H3,(H,19,23)(H4,17,18,20,21,25)
InChIKeyTVTRFSFAVMGJJW-UHFFFAOYSA-N
XLogP0.83
TPSA133.21 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-acetyl-2-amino-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)phenyl]acetamide?
The IUPAC name of N-[4-(5-acetyl-2-amino-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)phenyl]acetamide (CID 136711734) is N-[4-(5-acetyl-2-amino-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(5-acetyl-2-amino-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(5-acetyl-2-amino-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)phenyl]acetamide is CC(=O)Nc1ccc(C2CNc3nc(N)[nH]c(=O)c3N2C(C)=O)cc1.
What is the InChIKey of N-[4-(5-acetyl-2-amino-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)phenyl]acetamide?
The InChIKey is TVTRFSFAVMGJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3/c1-8(23)19-11-5-3-10(4-6-11)12-7-18-14-13(22(12)9(2)24)15(25)21-16(17)20-14/h3-6,12H,7H2,1-2H3,(H,19,23)(H4,17,18,20,21,25).
What are the key properties of N-[4-(5-acetyl-2-amino-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)phenyl]acetamide?
N-[4-(5-acetyl-2-amino-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)phenyl]acetamide has a molecular weight of 342.36 g/mol, XLogP of 0.83, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-acetyl-2-amino-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)phenyl]acetamide is sourced from PubChem (CID 136711734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).