4-amino-2-(5-tert-butyl-2-methoxyphenyl)-5-nitroso-1H-pyrimidin-6-one

C15H18N4O3 — CID 152778104

IUPAC4-amino-2-(5-tert-butyl-2-methoxyphenyl)-5-nitroso-1H-pyrimidin-6-one
SMILESCOc1ccc(C(C)(C)C)cc1-c1nc(N)c(N=O)c(=O)[nH]1
InChIInChI=1S/C15H18N4O3/c1-15(2,3)8-5-6-10(22-4)9(7-8)13-17-12(16)11(19-21)14(20)18-13/h5-7H,1-4H3,(H3,16,17,18,20)
InChIKeyUOGJOLPQNWHNEV-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.72
Rot. Bonds3

About 4-amino-2-(5-tert-butyl-2-methoxyphenyl)-5-nitroso-1H-pyrimidin-6-one

4-amino-2-(5-tert-butyl-2-methoxyphenyl)-5-nitroso-1H-pyrimidin-6-one (PubChem CID 152778104) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-amino-2-(5-tert-butyl-2-methoxyphenyl)-5-nitroso-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(5-tert-butyl-2-methoxyphenyl)-5-nitroso-1H-pyrimidin-6-one
PubChem CID152778104
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name4-amino-2-(5-tert-butyl-2-methoxyphenyl)-5-nitroso-1H-pyrimidin-6-one
SMILESCOc1ccc(C(C)(C)C)cc1-c1nc(N)c(N=O)c(=O)[nH]1
InChIInChI=1S/C15H18N4O3/c1-15(2,3)8-5-6-10(22-4)9(7-8)13-17-12(16)11(19-21)14(20)18-13/h5-7H,1-4H3,(H3,16,17,18,20)
InChIKeyUOGJOLPQNWHNEV-UHFFFAOYSA-N
XLogP2.72
TPSA110.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(2,4-dimethoxyphenyl)-5-nitroso-1H-pyrimidin-6-one
CID 152778061
4-amino-2-(5-fluoro-2-propoxyphenyl)-5-nitroso-1H-pyrimidin-6-one
CID 135967800
4-(5-tert-butyl-2-methoxyphenyl)aniline
CID 83655480
4-amino-2-(4-hydroxyphenyl)-5-nitroso-1H-pyrimidin-6-one
CID 152778097
4-(5-tert-butyl-2-methoxyphenyl)-1,2,5-oxadiazol-3-amine
CID 82118685
6-(5-tert-butyl-2-methoxyphenyl)pyrimidin-4-amine
CID 82300014
6-(4-tert-butylphenyl)-3-methoxypyridin-2-amine
CID 82556285
4-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 82365983
4-amino-2-(3-hexoxyphenyl)-5-nitroso-1H-pyrimidin-6-one
CID 152778090
4-[4-(5-tert-butyl-2-methoxyphenyl)phenyl]-1H-pyrazolo[4,3-c]pyridin-3-amine
CID 173164263
4-(4-tert-butyl-2-methoxyphenyl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 168588781
4,5-diamino-2-(2,6-dimethoxyphenyl)-1H-pyrimidin-6-one
CID 152771788

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(5-tert-butyl-2-methoxyphenyl)-5-nitroso-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(5-tert-butyl-2-methoxyphenyl)-5-nitroso-1H-pyrimidin-6-one (CID 152778104) is 4-amino-2-(5-tert-butyl-2-methoxyphenyl)-5-nitroso-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(5-tert-butyl-2-methoxyphenyl)-5-nitroso-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(5-tert-butyl-2-methoxyphenyl)-5-nitroso-1H-pyrimidin-6-one is COc1ccc(C(C)(C)C)cc1-c1nc(N)c(N=O)c(=O)[nH]1.
What is the InChIKey of 4-amino-2-(5-tert-butyl-2-methoxyphenyl)-5-nitroso-1H-pyrimidin-6-one?
The InChIKey is UOGJOLPQNWHNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-15(2,3)8-5-6-10(22-4)9(7-8)13-17-12(16)11(19-21)14(20)18-13/h5-7H,1-4H3,(H3,16,17,18,20).
What are the key properties of 4-amino-2-(5-tert-butyl-2-methoxyphenyl)-5-nitroso-1H-pyrimidin-6-one?
4-amino-2-(5-tert-butyl-2-methoxyphenyl)-5-nitroso-1H-pyrimidin-6-one has a molecular weight of 302.33 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(5-tert-butyl-2-methoxyphenyl)-5-nitroso-1H-pyrimidin-6-one is sourced from PubChem (CID 152778104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).