2-amino-5-iodo-4-(3-nitrophenyl)-1H-pyrimidin-6-one

C10H7IN4O3 — CID 135480634

IUPAC2-amino-5-iodo-4-(3-nitrophenyl)-1H-pyrimidin-6-one
SMILESNc1nc(-c2cccc([N+](=O)[O-])c2)c(I)c(=O)[nH]1
InChIInChI=1S/C10H7IN4O3/c11-7-8(13-10(12)14-9(7)16)5-2-1-3-6(4-5)15(17)18/h1-4H,(H3,12,13,14,16)
InChIKeyVXTXTXSPZIZKTK-UHFFFAOYSA-N
MW358.10 g/mol
LogP1.53
Rot. Bonds2

About 2-amino-5-iodo-4-(3-nitrophenyl)-1H-pyrimidin-6-one

2-amino-5-iodo-4-(3-nitrophenyl)-1H-pyrimidin-6-one (PubChem CID 135480634) has the molecular formula C10H7IN4O3 and a molecular weight of 358.10 g/mol. Its IUPAC name is 2-amino-5-iodo-4-(3-nitrophenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-iodo-4-(3-nitrophenyl)-1H-pyrimidin-6-one
PubChem CID135480634
Molecular FormulaC10H7IN4O3
Molecular Weight358.10 g/mol
Exact Mass357.96
IUPAC Name2-amino-5-iodo-4-(3-nitrophenyl)-1H-pyrimidin-6-one
SMILESNc1nc(-c2cccc([N+](=O)[O-])c2)c(I)c(=O)[nH]1
InChIInChI=1S/C10H7IN4O3/c11-7-8(13-10(12)14-9(7)16)5-2-1-3-6(4-5)15(17)18/h1-4H,(H3,12,13,14,16)
InChIKeyVXTXTXSPZIZKTK-UHFFFAOYSA-N
XLogP1.53
TPSA114.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.10
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-Nitro-6-[2-(3-nitro-phenyl)-vinyl]-1H-pyrimidine-2,4-dione
CID 5758422
2-amino-4-(4-nitrophenyl)-1H-pyrimidin-6-one
CID 135454026
2-Amino-5-chloro-6-(3-nitrophenyl)-4(3H)-pyrimidinone
CID 135480633
3-amino-8-nitro-5,6-dihydro-2H-benzo[f]quinazolin-1-one
CID 135838128
2-Amino-5-bromo-6-(3-nitrophenyl)-4(3H)-pyrimidinone
CID 135415735
6-(3-Nitrophenyl)-5-cyano-4-hydroxy-2-aminopyrimidine
CID 135912053
2-amino-4-(2-nitrophenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 135912059
4-(3-nitrophenyl)-2-(2-propan-2-ylidenehydrazinyl)-1H-pyrimidin-6-one
CID 136498986
2-(2-cyclopentylidenehydrazinyl)-4-(3-nitrophenyl)-1H-pyrimidin-6-one
CID 136498990
2-Amino-6-[(2-fluoro-5-nitrophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917873
2-Amino-6-[(4-fluoro-3-nitrophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919767
2-(2,6-difluoro-3-nitrophenyl)-5-iodo-4-methyl-1H-pyrimidin-6-one
CID 136285212

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-iodo-4-(3-nitrophenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-iodo-4-(3-nitrophenyl)-1H-pyrimidin-6-one (CID 135480634) is 2-amino-5-iodo-4-(3-nitrophenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-iodo-4-(3-nitrophenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-iodo-4-(3-nitrophenyl)-1H-pyrimidin-6-one is Nc1nc(-c2cccc([N+](=O)[O-])c2)c(I)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-iodo-4-(3-nitrophenyl)-1H-pyrimidin-6-one?
The InChIKey is VXTXTXSPZIZKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7IN4O3/c11-7-8(13-10(12)14-9(7)16)5-2-1-3-6(4-5)15(17)18/h1-4H,(H3,12,13,14,16).
What are the key properties of 2-amino-5-iodo-4-(3-nitrophenyl)-1H-pyrimidin-6-one?
2-amino-5-iodo-4-(3-nitrophenyl)-1H-pyrimidin-6-one has a molecular weight of 358.10 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-iodo-4-(3-nitrophenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135480634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).