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

C11H17IN4O2 — CID 136957101

IUPACN,N-diethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
SMILESCCN(CC)C(=O)C(C)Nc1nc[nH]c(=O)c1I
InChIInChI=1S/C11H17IN4O2/c1-4-16(5-2)11(18)7(3)15-9-8(12)10(17)14-6-13-9/h6-7H,4-5H2,1-3H3,(H2,13,14,15,17)
InChIKeyPRWQXVOKKAXNDW-UHFFFAOYSA-N
MW364.19 g/mol
LogP1.04
Rot. Bonds5

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

N,N-diethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide (PubChem CID 136957101) has the molecular formula C11H17IN4O2 and a molecular weight of 364.19 g/mol. Its IUPAC name is N,N-diethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
PubChem CID136957101
Molecular FormulaC11H17IN4O2
Molecular Weight364.19 g/mol
Exact Mass364.04
IUPAC NameN,N-diethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
SMILESCCN(CC)C(=O)C(C)Nc1nc[nH]c(=O)c1I
InChIInChI=1S/C11H17IN4O2/c1-4-16(5-2)11(18)7(3)15-9-8(12)10(17)14-6-13-9/h6-7H,4-5H2,1-3H3,(H2,13,14,15,17)
InChIKeyPRWQXVOKKAXNDW-UHFFFAOYSA-N
XLogP1.04
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.19
LogP ≤ 51.04
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-(1-chlorobutan-2-ylamino)-5-iodo-1H-pyrimidin-6-one
CID 136971853
4-(5-hydroxypentan-2-ylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956973
N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide
CID 136980716
5-iodo-4-(1-methylsulfinylpropan-2-ylamino)-1H-pyrimidin-6-one
CID 136957156
4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136901139
4-[1-(4-ethylphenyl)ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136974375
2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 136993962
5-iodo-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one
CID 136973979
N,N-diethyl-2-(2-iodoanilino)propanamide
CID 43113743
4-(2,3-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956815
4-(1-cyclopropylbutan-2-ylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956690
ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136974867

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The IUPAC name of N,N-diethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide (CID 136957101) is N,N-diethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for N,N-diethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The canonical SMILES for N,N-diethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide is CCN(CC)C(=O)C(C)Nc1nc[nH]c(=O)c1I.
What is the InChIKey of N,N-diethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The InChIKey is PRWQXVOKKAXNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN4O2/c1-4-16(5-2)11(18)7(3)15-9-8(12)10(17)14-6-13-9/h6-7H,4-5H2,1-3H3,(H2,13,14,15,17).
What are the key properties of N,N-diethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
N,N-diethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide has a molecular weight of 364.19 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 136957101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).