3-(5-iodo-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide

C10H14IN3O2 — CID 66307816

IUPAC3-(5-iodo-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCn1cncc(I)c1=O
InChIInChI=1S/C10H14IN3O2/c1-7(2)13-9(15)3-4-14-6-12-5-8(11)10(14)16/h5-7H,3-4H2,1-2H3,(H,13,15)
InChIKeyHJQCXBSATOAKSW-UHFFFAOYSA-N
MW335.15 g/mol
LogP0.76
Rot. Bonds4

About 3-(5-iodo-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide

3-(5-iodo-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide (PubChem CID 66307816) has the molecular formula C10H14IN3O2 and a molecular weight of 335.15 g/mol. Its IUPAC name is 3-(5-iodo-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(5-iodo-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
PubChem CID66307816
Molecular FormulaC10H14IN3O2
Molecular Weight335.15 g/mol
Exact Mass335.01
IUPAC Name3-(5-iodo-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCn1cncc(I)c1=O
InChIInChI=1S/C10H14IN3O2/c1-7(2)13-9(15)3-4-14-6-12-5-8(11)10(14)16/h5-7H,3-4H2,1-2H3,(H,13,15)
InChIKeyHJQCXBSATOAKSW-UHFFFAOYSA-N
XLogP0.76
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 50.76
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 3-(5-iodo-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(5-iodo-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide (CID 66307816) is 3-(5-iodo-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(5-iodo-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(5-iodo-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide is CC(C)NC(=O)CCn1cncc(I)c1=O.
What is the InChIKey of 3-(5-iodo-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide?
The InChIKey is HJQCXBSATOAKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O2/c1-7(2)13-9(15)3-4-14-6-12-5-8(11)10(14)16/h5-7H,3-4H2,1-2H3,(H,13,15).
What are the key properties of 3-(5-iodo-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide?
3-(5-iodo-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide has a molecular weight of 335.15 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-iodo-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 66307816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).