3-(2,6-diamino-5-phenylpyrimidin-4-yl)propyl acetate

C15H18N4O2 — CID 11369668

IUPAC3-(2,6-diamino-5-phenylpyrimidin-4-yl)propyl acetate
SMILESCC(=O)OCCCc1nc(N)nc(N)c1-c1ccccc1
InChIInChI=1S/C15H18N4O2/c1-10(20)21-9-5-8-12-13(11-6-3-2-4-7-11)14(16)19-15(17)18-12/h2-4,6-7H,5,8-9H2,1H3,(H4,16,17,18,19)
InChIKeyVNBZOAOCXAFRJW-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.80
Rot. Bonds5

About 3-(2,6-diamino-5-phenylpyrimidin-4-yl)propyl acetate

3-(2,6-diamino-5-phenylpyrimidin-4-yl)propyl acetate (PubChem CID 11369668) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-(2,6-diamino-5-phenylpyrimidin-4-yl)propyl acetate.

Molecular Properties

Compound Name3-(2,6-diamino-5-phenylpyrimidin-4-yl)propyl acetate
PubChem CID11369668
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name3-(2,6-diamino-5-phenylpyrimidin-4-yl)propyl acetate
SMILESCC(=O)OCCCc1nc(N)nc(N)c1-c1ccccc1
InChIInChI=1S/C15H18N4O2/c1-10(20)21-9-5-8-12-13(11-6-3-2-4-7-11)14(16)19-15(17)18-12/h2-4,6-7H,5,8-9H2,1H3,(H4,16,17,18,19)
InChIKeyVNBZOAOCXAFRJW-UHFFFAOYSA-N
XLogP1.80
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(5-phenoxypentyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride
CID 155532752
4-[3-[4-(2,6-diamino-5-phenylpyrimidin-4-yl)butoxy]phenoxy]butanoic acid;hydrochloride
CID 155552687
4-ethyl-6-methyl-5-phenylpyrimidin-2-amine
CID 58387688
2-(4-phenylphenoxy)ethyl acetate
CID 101023594
2-phenylethyl acetate
CID 7654
2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl acetate
CID 56624866
acetic acid;2-phenylethyl acetate
CID 174791962
N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-phenylmethoxyacetamide
CID 11178863
2-[(3-amino-4,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)methoxy]ethyl acetate
CID 11647070
3-[difluoro(phenyl)silyl]propyl acetate
CID 174136211
2-[(3-bromo-2,4,5-triphenylpyrrol-1-yl)methoxy]ethyl acetate
CID 512927
3-diphenylphosphanylpropyl acetate
CID 57133096

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-diamino-5-phenylpyrimidin-4-yl)propyl acetate?
The IUPAC name of 3-(2,6-diamino-5-phenylpyrimidin-4-yl)propyl acetate (CID 11369668) is 3-(2,6-diamino-5-phenylpyrimidin-4-yl)propyl acetate.
What is the SMILES notation for 3-(2,6-diamino-5-phenylpyrimidin-4-yl)propyl acetate?
The canonical SMILES for 3-(2,6-diamino-5-phenylpyrimidin-4-yl)propyl acetate is CC(=O)OCCCc1nc(N)nc(N)c1-c1ccccc1.
What is the InChIKey of 3-(2,6-diamino-5-phenylpyrimidin-4-yl)propyl acetate?
The InChIKey is VNBZOAOCXAFRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10(20)21-9-5-8-12-13(11-6-3-2-4-7-11)14(16)19-15(17)18-12/h2-4,6-7H,5,8-9H2,1H3,(H4,16,17,18,19).
What are the key properties of 3-(2,6-diamino-5-phenylpyrimidin-4-yl)propyl acetate?
3-(2,6-diamino-5-phenylpyrimidin-4-yl)propyl acetate has a molecular weight of 286.34 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-diamino-5-phenylpyrimidin-4-yl)propyl acetate is sourced from PubChem (CID 11369668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).