3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanimidamide

C9H14IN5O — CID 136971697

IUPAC3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)c1nc[nH]c(=O)c1I
InChIInChI=1S/C9H14IN5O/c1-5(7(11)12)3-15(2)8-6(10)9(16)14-4-13-8/h4-5H,3H2,1-2H3,(H3,11,12)(H,13,14,16)
InChIKeyVNBAAQBJKMIZGL-UHFFFAOYSA-N
MW335.15 g/mol
LogP0.38
Rot. Bonds4

About 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanimidamide

3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanimidamide (PubChem CID 136971697) has the molecular formula C9H14IN5O and a molecular weight of 335.15 g/mol. Its IUPAC name is 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanimidamide
PubChem CID136971697
Molecular FormulaC9H14IN5O
Molecular Weight335.15 g/mol
Exact Mass335.02
IUPAC Name3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)c1nc[nH]c(=O)c1I
InChIInChI=1S/C9H14IN5O/c1-5(7(11)12)3-15(2)8-6(10)9(16)14-4-13-8/h4-5H,3H2,1-2H3,(H3,11,12)(H,13,14,16)
InChIKeyVNBAAQBJKMIZGL-UHFFFAOYSA-N
XLogP0.38
TPSA98.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]propanimidamide
CID 136900955
3-[ethyl-(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 136900957
3-[ethyl-(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N'-hydroxypropanimidamide
CID 136900959
N'-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-(2-methylpropyl)amino]propanimidamide
CID 136900968
N'-hydroxy-3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]butanimidamide
CID 136900970
5-iodo-4-[methyl-[2-methyl-3-(methylamino)propyl]amino]-1H-pyrimidin-6-one
CID 136914200
5-iodo-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136955897
4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136955942
4-[3-(diethylamino)propylamino]-5-iodo-1H-pyrimidin-6-one
CID 136955994
4-[3-(dimethylamino)propylamino]-5-iodo-1H-pyrimidin-6-one
CID 136956006
5-iodo-4-[methyl(2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136957458
4-[3-(dimethylamino)propyl-methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136957890

Frequently Asked Questions

What is the IUPAC name of 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanimidamide?
The IUPAC name of 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanimidamide (CID 136971697) is 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanimidamide.
What is the SMILES notation for 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanimidamide?
The canonical SMILES for 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN(C)c1nc[nH]c(=O)c1I.
What is the InChIKey of 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanimidamide?
The InChIKey is VNBAAQBJKMIZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14IN5O/c1-5(7(11)12)3-15(2)8-6(10)9(16)14-4-13-8/h4-5H,3H2,1-2H3,(H3,11,12)(H,13,14,16).
What are the key properties of 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanimidamide?
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanimidamide has a molecular weight of 335.15 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanimidamide is sourced from PubChem (CID 136971697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).