5-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide

C9H13IN4O2 — CID 136880887

IUPAC5-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
SMILESNC(=O)CCCCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C9H13IN4O2/c10-7-8(13-5-14-9(7)16)12-4-2-1-3-6(11)15/h5H,1-4H2,(H2,11,15)(H2,12,13,14,16)
InChIKeyWOWSDQQENNKSAL-UHFFFAOYSA-N
MW336.13 g/mol
LogP0.44
Rot. Bonds6

About 5-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide

5-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide (PubChem CID 136880887) has the molecular formula C9H13IN4O2 and a molecular weight of 336.13 g/mol. Its IUPAC name is 5-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide.

Molecular Properties

Compound Name5-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
PubChem CID136880887
Molecular FormulaC9H13IN4O2
Molecular Weight336.13 g/mol
Exact Mass336.01
IUPAC Name5-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
SMILESNC(=O)CCCCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C9H13IN4O2/c10-7-8(13-5-14-9(7)16)12-4-2-1-3-6(11)15/h5H,1-4H2,(H2,11,15)(H2,12,13,14,16)
InChIKeyWOWSDQQENNKSAL-UHFFFAOYSA-N
XLogP0.44
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.13
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(5-aminopentylamino)-5-iodo-1H-pyrimidin-6-one
CID 136689853
4-(6-aminohexylamino)-5-iodo-1H-pyrimidin-6-one
CID 136755772
4-[5-aminopentyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136829857
5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
CID 136880884
5-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
CID 136880885
5-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
CID 136880890
5-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
CID 136880891
4-(4-aminopentylamino)-5-iodo-1H-pyrimidin-6-one
CID 136902392
5-iodo-4-(pentylamino)-1H-pyrimidin-6-one
CID 136955954
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 136956109
4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136956163
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide
CID 136956443

Frequently Asked Questions

What is the IUPAC name of 5-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide?
The IUPAC name of 5-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide (CID 136880887) is 5-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide.
What is the SMILES notation for 5-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide?
The canonical SMILES for 5-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide is NC(=O)CCCCNc1nc[nH]c(=O)c1I.
What is the InChIKey of 5-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide?
The InChIKey is WOWSDQQENNKSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN4O2/c10-7-8(13-5-14-9(7)16)12-4-2-1-3-6(11)15/h5H,1-4H2,(H2,11,15)(H2,12,13,14,16).
What are the key properties of 5-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide?
5-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide has a molecular weight of 336.13 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide is sourced from PubChem (CID 136880887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).