N-cyclopropyl-3-(5-iodo-6-oxopyrimidin-1-yl)propanamide

C10H12IN3O2 — CID 66307817

IUPACN-cyclopropyl-3-(5-iodo-6-oxopyrimidin-1-yl)propanamide
SMILESO=C(CCn1cncc(I)c1=O)NC1CC1
InChIInChI=1S/C10H12IN3O2/c11-8-5-12-6-14(10(8)16)4-3-9(15)13-7-1-2-7/h5-7H,1-4H2,(H,13,15)
InChIKeyUTJQWSKDJKQOKI-UHFFFAOYSA-N
MW333.13 g/mol
LogP0.52
Rot. Bonds4

About N-cyclopropyl-3-(5-iodo-6-oxopyrimidin-1-yl)propanamide

N-cyclopropyl-3-(5-iodo-6-oxopyrimidin-1-yl)propanamide (PubChem CID 66307817) has the molecular formula C10H12IN3O2 and a molecular weight of 333.13 g/mol. Its IUPAC name is N-cyclopropyl-3-(5-iodo-6-oxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(5-iodo-6-oxopyrimidin-1-yl)propanamide
PubChem CID66307817
Molecular FormulaC10H12IN3O2
Molecular Weight333.13 g/mol
Exact Mass333.00
IUPAC NameN-cyclopropyl-3-(5-iodo-6-oxopyrimidin-1-yl)propanamide
SMILESO=C(CCn1cncc(I)c1=O)NC1CC1
InChIInChI=1S/C10H12IN3O2/c11-8-5-12-6-14(10(8)16)4-3-9(15)13-7-1-2-7/h5-7H,1-4H2,(H,13,15)
InChIKeyUTJQWSKDJKQOKI-UHFFFAOYSA-N
XLogP0.52
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.13
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(5-iodo-6-oxopyrimidin-1-yl)propanamide?
The IUPAC name of N-cyclopropyl-3-(5-iodo-6-oxopyrimidin-1-yl)propanamide (CID 66307817) is N-cyclopropyl-3-(5-iodo-6-oxopyrimidin-1-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(5-iodo-6-oxopyrimidin-1-yl)propanamide?
The canonical SMILES for N-cyclopropyl-3-(5-iodo-6-oxopyrimidin-1-yl)propanamide is O=C(CCn1cncc(I)c1=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-(5-iodo-6-oxopyrimidin-1-yl)propanamide?
The InChIKey is UTJQWSKDJKQOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN3O2/c11-8-5-12-6-14(10(8)16)4-3-9(15)13-7-1-2-7/h5-7H,1-4H2,(H,13,15).
What are the key properties of N-cyclopropyl-3-(5-iodo-6-oxopyrimidin-1-yl)propanamide?
N-cyclopropyl-3-(5-iodo-6-oxopyrimidin-1-yl)propanamide has a molecular weight of 333.13 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(5-iodo-6-oxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 66307817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).