2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylacetamide

C8H11IN4O2 — CID 136993962

IUPAC2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C8H11IN4O2/c1-13(2)5(14)3-10-7-6(9)8(15)12-4-11-7/h4H,3H2,1-2H3,(H2,10,11,12,15)
InChIKeyBGRCWMGMXIMHOU-UHFFFAOYSA-N
MW322.11 g/mol
LogP-0.13
Rot. Bonds3

About 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylacetamide

2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylacetamide (PubChem CID 136993962) has the molecular formula C8H11IN4O2 and a molecular weight of 322.11 g/mol. Its IUPAC name is 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylacetamide
PubChem CID136993962
Molecular FormulaC8H11IN4O2
Molecular Weight322.11 g/mol
Exact Mass321.99
IUPAC Name2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C8H11IN4O2/c1-13(2)5(14)3-10-7-6(9)8(15)12-4-11-7/h4H,3H2,1-2H3,(H2,10,11,12,15)
InChIKeyBGRCWMGMXIMHOU-UHFFFAOYSA-N
XLogP-0.13
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.11
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(dimethylamino)-2-methylpropyl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136956500
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136857372
N-cyclopropyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 136956133
5-iodo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one
CID 136957096
4-(2,3-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956815
N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylacetamide
CID 136870165
4-[(2-hydroxy-4,4-dimethylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136703826
5-iodo-4-[(5-methylpyrazin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 137016386
5-iodo-4-(3-methylsulfanylpropylamino)-1H-pyrimidin-6-one
CID 136975807
N,N-diethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 136957101
5-iodo-4-[2-(2-methylprop-2-enoxy)ethylamino]-1H-pyrimidin-6-one
CID 136977489
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136811579

Frequently Asked Questions

What is the IUPAC name of 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylacetamide (CID 136993962) is 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylacetamide is CN(C)C(=O)CNc1nc[nH]c(=O)c1I.
What is the InChIKey of 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylacetamide?
The InChIKey is BGRCWMGMXIMHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN4O2/c1-13(2)5(14)3-10-7-6(9)8(15)12-4-11-7/h4H,3H2,1-2H3,(H2,10,11,12,15).
What are the key properties of 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylacetamide?
2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylacetamide has a molecular weight of 322.11 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 136993962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).