(4R,5S)-5-amino-4-nitroso-2-(2-propoxyphenyl)-5H-pyrimidin-4-ol

C13H16N4O3 — CID 124639865

IUPAC(4R,5S)-5-amino-4-nitroso-2-(2-propoxyphenyl)-5H-pyrimidin-4-ol
SMILESCCCOc1ccccc1C1=N[C@@](O)(N=O)[C@@H](N)C=N1
InChIInChI=1S/C13H16N4O3/c1-2-7-20-10-6-4-3-5-9(10)12-15-8-11(14)13(18,16-12)17-19/h3-6,8,11,18H,2,7,14H2,1H3/t11-,13+/m0/s1
InChIKeyODZBGFITIIBYAG-WCQYABFASA-N
MW276.30 g/mol
LogP1.05
Rot. Bonds5

About (4R,5S)-5-amino-4-nitroso-2-(2-propoxyphenyl)-5H-pyrimidin-4-ol

(4R,5S)-5-amino-4-nitroso-2-(2-propoxyphenyl)-5H-pyrimidin-4-ol (PubChem CID 124639865) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is (4R,5S)-5-amino-4-nitroso-2-(2-propoxyphenyl)-5H-pyrimidin-4-ol.

Molecular Properties

Compound Name(4R,5S)-5-amino-4-nitroso-2-(2-propoxyphenyl)-5H-pyrimidin-4-ol
PubChem CID124639865
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name(4R,5S)-5-amino-4-nitroso-2-(2-propoxyphenyl)-5H-pyrimidin-4-ol
SMILESCCCOc1ccccc1C1=N[C@@](O)(N=O)[C@@H](N)C=N1
InChIInChI=1S/C13H16N4O3/c1-2-7-20-10-6-4-3-5-9(10)12-15-8-11(14)13(18,16-12)17-19/h3-6,8,11,18H,2,7,14H2,1H3/t11-,13+/m0/s1
InChIKeyODZBGFITIIBYAG-WCQYABFASA-N
XLogP1.05
TPSA109.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2-propoxyphenyl)pyridine-2-carboxylic acid
CID 104660736
4,5-dimethyl-2-(2-propoxyphenyl)-4,5-dihydro-1H-pyrimidin-6-one;ethane
CID 143044780
4-(2-propoxyphenyl)phthalazin-1-amine
CID 104663111
3,3-dimethoxy-4-propoxyisoindol-1-amine
CID 21471035
2-phenyl-6-propoxybenzamide
CID 57275841
2-(2-propoxyphenoxy)ethanimidamide
CID 24701744
4-(2-butoxyphenyl)pyridazine
CID 173145819
2-hydroxy-4-propoxyindene-1,3-dione
CID 139638106
(2-propoxyphenyl)boronic acid
CID 4219796
[5-(2-propoxyphenyl)-3-pyridinyl]methanamine
CID 113469771
carbonic acid;propyl 2-propoxybenzoate
CID 69345278
2-amino-N-methyl-6-(2-propoxyphenyl)pyrimidine-4-carboxamide
CID 54852313

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-amino-4-nitroso-2-(2-propoxyphenyl)-5H-pyrimidin-4-ol?
The IUPAC name of (4R,5S)-5-amino-4-nitroso-2-(2-propoxyphenyl)-5H-pyrimidin-4-ol (CID 124639865) is (4R,5S)-5-amino-4-nitroso-2-(2-propoxyphenyl)-5H-pyrimidin-4-ol.
What is the SMILES notation for (4R,5S)-5-amino-4-nitroso-2-(2-propoxyphenyl)-5H-pyrimidin-4-ol?
The canonical SMILES for (4R,5S)-5-amino-4-nitroso-2-(2-propoxyphenyl)-5H-pyrimidin-4-ol is CCCOc1ccccc1C1=N[C@@](O)(N=O)[C@@H](N)C=N1.
What is the InChIKey of (4R,5S)-5-amino-4-nitroso-2-(2-propoxyphenyl)-5H-pyrimidin-4-ol?
The InChIKey is ODZBGFITIIBYAG-WCQYABFASA-N. The full InChI is InChI=1S/C13H16N4O3/c1-2-7-20-10-6-4-3-5-9(10)12-15-8-11(14)13(18,16-12)17-19/h3-6,8,11,18H,2,7,14H2,1H3/t11-,13+/m0/s1.
What are the key properties of (4R,5S)-5-amino-4-nitroso-2-(2-propoxyphenyl)-5H-pyrimidin-4-ol?
(4R,5S)-5-amino-4-nitroso-2-(2-propoxyphenyl)-5H-pyrimidin-4-ol has a molecular weight of 276.30 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-amino-4-nitroso-2-(2-propoxyphenyl)-5H-pyrimidin-4-ol is sourced from PubChem (CID 124639865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).