N-[4-[(2,4-diaminopyrimidin-5-yl)methyl]phenyl]acetamide

C13H15N5O — CID 14999847

IUPACN-[4-[(2,4-diaminopyrimidin-5-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cc2cnc(N)nc2N)cc1
InChIInChI=1S/C13H15N5O/c1-8(19)17-11-4-2-9(3-5-11)6-10-7-16-13(15)18-12(10)14/h2-5,7H,6H2,1H3,(H,17,19)(H4,14,15,16,18)
InChIKeyQROBKDOXPSLZLP-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.19
Rot. Bonds3

About N-[4-[(2,4-diaminopyrimidin-5-yl)methyl]phenyl]acetamide

N-[4-[(2,4-diaminopyrimidin-5-yl)methyl]phenyl]acetamide (PubChem CID 14999847) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is N-[4-[(2,4-diaminopyrimidin-5-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2,4-diaminopyrimidin-5-yl)methyl]phenyl]acetamide
PubChem CID14999847
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC NameN-[4-[(2,4-diaminopyrimidin-5-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cc2cnc(N)nc2N)cc1
InChIInChI=1S/C13H15N5O/c1-8(19)17-11-4-2-9(3-5-11)6-10-7-16-13(15)18-12(10)14/h2-5,7H,6H2,1H3,(H,17,19)(H4,14,15,16,18)
InChIKeyQROBKDOXPSLZLP-UHFFFAOYSA-N
XLogP1.19
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,4-diaminopyrimidin-5-yl)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2,4-diaminopyrimidin-5-yl)methyl]phenyl]acetamide (CID 14999847) is N-[4-[(2,4-diaminopyrimidin-5-yl)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2,4-diaminopyrimidin-5-yl)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2,4-diaminopyrimidin-5-yl)methyl]phenyl]acetamide is CC(=O)Nc1ccc(Cc2cnc(N)nc2N)cc1.
What is the InChIKey of N-[4-[(2,4-diaminopyrimidin-5-yl)methyl]phenyl]acetamide?
The InChIKey is QROBKDOXPSLZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-8(19)17-11-4-2-9(3-5-11)6-10-7-16-13(15)18-12(10)14/h2-5,7H,6H2,1H3,(H,17,19)(H4,14,15,16,18).
What are the key properties of N-[4-[(2,4-diaminopyrimidin-5-yl)methyl]phenyl]acetamide?
N-[4-[(2,4-diaminopyrimidin-5-yl)methyl]phenyl]acetamide has a molecular weight of 257.30 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,4-diaminopyrimidin-5-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 14999847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).