2-amino-5-iodo-4-propyl-1H-pyrimidin-6-one

C7H10IN3O — CID 135449728

IUPAC2-amino-5-iodo-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(N)[nH]c(=O)c1I
InChIInChI=1S/C7H10IN3O/c1-2-3-4-5(8)6(12)11-7(9)10-4/h2-3H2,1H3,(H3,9,10,11,12)
InChIKeyRGURAHSIPOAYBW-UHFFFAOYSA-N
MW279.08 g/mol
LogP0.91
Rot. Bonds2

About 2-amino-5-iodo-4-propyl-1H-pyrimidin-6-one

2-amino-5-iodo-4-propyl-1H-pyrimidin-6-one (PubChem CID 135449728) has the molecular formula C7H10IN3O and a molecular weight of 279.08 g/mol. Its IUPAC name is 2-amino-5-iodo-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-iodo-4-propyl-1H-pyrimidin-6-one
PubChem CID135449728
Molecular FormulaC7H10IN3O
Molecular Weight279.08 g/mol
Exact Mass278.99
IUPAC Name2-amino-5-iodo-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(N)[nH]c(=O)c1I
InChIInChI=1S/C7H10IN3O/c1-2-3-4-5(8)6(12)11-7(9)10-4/h2-3H2,1H3,(H3,9,10,11,12)
InChIKeyRGURAHSIPOAYBW-UHFFFAOYSA-N
XLogP0.91
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.08
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-6-propylpyrimidin-4-ol
CID 135556691
2-Amino-5-iodo-6-methyl-4-pyrimidinol
CID 135480614
2-Amino-6-ethyl-5-iodo-4(3H)-pyrimidinone
CID 135480616
2-Amino-5-bromo-6-propyl-4(3H)-pyrimidinone
CID 135480617
2-amino-4-(2-iodopropan-2-yl)-1H-pyrimidin-6-one
CID 136603697
2-amino-4-(1-iodoethyl)-5-methyl-1H-pyrimidin-6-one
CID 147110571
2-amino-5-ethyl-4-propyl-1H-pyrimidin-6-one
CID 151852895
2-amino-4-propyl-1H-pyrimidin-6-one;azane
CID 167462255
4-tert-butyl-5-iodo-2-(methylamino)-1H-pyrimidin-6-one
CID 136225038
5-iodo-2-(methylamino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136225082
2-(dimethylamino)-4-ethyl-5-iodo-1H-pyrimidin-6-one
CID 136225224
2-amino-4-cyclopropyl-5-iodo-1H-pyrimidin-6-one
CID 136225452

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-iodo-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-iodo-4-propyl-1H-pyrimidin-6-one (CID 135449728) is 2-amino-5-iodo-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-iodo-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-iodo-4-propyl-1H-pyrimidin-6-one is CCCc1nc(N)[nH]c(=O)c1I.
What is the InChIKey of 2-amino-5-iodo-4-propyl-1H-pyrimidin-6-one?
The InChIKey is RGURAHSIPOAYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10IN3O/c1-2-3-4-5(8)6(12)11-7(9)10-4/h2-3H2,1H3,(H3,9,10,11,12).
What are the key properties of 2-amino-5-iodo-4-propyl-1H-pyrimidin-6-one?
2-amino-5-iodo-4-propyl-1H-pyrimidin-6-one has a molecular weight of 279.08 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-iodo-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135449728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).