3-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide

C10H11ClIN3O2 — CID 114583930

IUPAC3-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
SMILESO=C(CCn1cnc(Cl)c(I)c1=O)NC1CC1
InChIInChI=1S/C10H11ClIN3O2/c11-9-8(12)10(17)15(5-13-9)4-3-7(16)14-6-1-2-6/h5-6H,1-4H2,(H,14,16)
InChIKeyVVRPTJPAHHIJPY-UHFFFAOYSA-N
MW367.57 g/mol
LogP1.17
Rot. Bonds4

About 3-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide

3-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide (PubChem CID 114583930) has the molecular formula C10H11ClIN3O2 and a molecular weight of 367.57 g/mol. Its IUPAC name is 3-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
PubChem CID114583930
Molecular FormulaC10H11ClIN3O2
Molecular Weight367.57 g/mol
Exact Mass366.96
IUPAC Name3-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
SMILESO=C(CCn1cnc(Cl)c(I)c1=O)NC1CC1
InChIInChI=1S/C10H11ClIN3O2/c11-9-8(12)10(17)15(5-13-9)4-3-7(16)14-6-1-2-6/h5-6H,1-4H2,(H,14,16)
InChIKeyVVRPTJPAHHIJPY-UHFFFAOYSA-N
XLogP1.17
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.57
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(5-iodo-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 66307816
N-cyclopropyl-3-(5-iodo-6-oxopyrimidin-1-yl)propanamide
CID 66307817
3-[3-(Cyclopropylamino)propyl]-5-iodopyrimidin-4-one
CID 66309308
3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide
CID 66340439
3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 66341331
N-cyclopropyl-3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide
CID 66341332
N-ethyl-3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide
CID 66343120
3-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
CID 114582208
3-(4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 114582429
3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
CID 114582647
N-cyclopropyl-3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide
CID 114583075
3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 114583283

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide?
The IUPAC name of 3-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide (CID 114583930) is 3-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide.
What is the SMILES notation for 3-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide?
The canonical SMILES for 3-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide is O=C(CCn1cnc(Cl)c(I)c1=O)NC1CC1.
What is the InChIKey of 3-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide?
The InChIKey is VVRPTJPAHHIJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClIN3O2/c11-9-8(12)10(17)15(5-13-9)4-3-7(16)14-6-1-2-6/h5-6H,1-4H2,(H,14,16).
What are the key properties of 3-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide?
3-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide has a molecular weight of 367.57 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide is sourced from PubChem (CID 114583930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).