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

C9H13IN4O2 — CID 136956511

IUPACN-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
SMILESCCNC(=O)C(C)Nc1nc[nH]c(=O)c1I
InChIInChI=1S/C9H13IN4O2/c1-3-11-8(15)5(2)14-7-6(10)9(16)13-4-12-7/h4-5H,3H2,1-2H3,(H,11,15)(H2,12,13,14,16)
InChIKeyGFTXDHFKWLDLQN-UHFFFAOYSA-N
MW336.13 g/mol
LogP0.31
Rot. Bonds4

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

N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide (PubChem CID 136956511) has the molecular formula C9H13IN4O2 and a molecular weight of 336.13 g/mol. Its IUPAC name is N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
PubChem CID136956511
Molecular FormulaC9H13IN4O2
Molecular Weight336.13 g/mol
Exact Mass336.01
IUPAC NameN-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
SMILESCCNC(=O)C(C)Nc1nc[nH]c(=O)c1I
InChIInChI=1S/C9H13IN4O2/c1-3-11-8(15)5(2)14-7-6(10)9(16)13-4-12-7/h4-5H,3H2,1-2H3,(H,11,15)(H2,12,13,14,16)
InChIKeyGFTXDHFKWLDLQN-UHFFFAOYSA-N
XLogP0.31
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.13
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Pepteridine A
CID 146684612
Pyrimidine, 4,5-bisethylamino-6-hydroxy-
CID 135814991
N-[4-(butanoylamino)-6-oxo-1H-pyrimidin-5-yl]butanamide
CID 135802457
2-(5-iodo-6-oxopyrimidin-1-yl)-N-propylacetamide
CID 66307801
N-butan-2-yl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
CID 66308230
2-(5-iodo-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
CID 66309492
2-(5-iodo-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
CID 66310768
N-carbamoyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66339990
N-ethyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66340862
N-cyclopropyl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66341106
2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
CID 66341545
N-butan-2-yl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66342666

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The IUPAC name of N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide (CID 136956511) is N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The canonical SMILES for N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide is CCNC(=O)C(C)Nc1nc[nH]c(=O)c1I.
What is the InChIKey of N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The InChIKey is GFTXDHFKWLDLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN4O2/c1-3-11-8(15)5(2)14-7-6(10)9(16)13-4-12-7/h4-5H,3H2,1-2H3,(H,11,15)(H2,12,13,14,16).
What are the key properties of N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide has a molecular weight of 336.13 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 136956511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).