4-[3-(dimethylamino)propyl-methylamino]-5-iodo-1H-pyrimidin-6-one

C10H17IN4O — CID 136957890

IUPAC4-[3-(dimethylamino)propyl-methylamino]-5-iodo-1H-pyrimidin-6-one
SMILESCN(C)CCCN(C)c1nc[nH]c(=O)c1I
InChIInChI=1S/C10H17IN4O/c1-14(2)5-4-6-15(3)9-8(11)10(16)13-7-12-9/h7H,4-6H2,1-3H3,(H,12,13,16)
InChIKeyIPQMUTXZHLLICH-UHFFFAOYSA-N
MW336.18 g/mol
LogP0.76
Rot. Bonds5

About 4-[3-(dimethylamino)propyl-methylamino]-5-iodo-1H-pyrimidin-6-one

4-[3-(dimethylamino)propyl-methylamino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136957890) has the molecular formula C10H17IN4O and a molecular weight of 336.18 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propyl-methylamino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(dimethylamino)propyl-methylamino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136957890
Molecular FormulaC10H17IN4O
Molecular Weight336.18 g/mol
Exact Mass336.04
IUPAC Name4-[3-(dimethylamino)propyl-methylamino]-5-iodo-1H-pyrimidin-6-one
SMILESCN(C)CCCN(C)c1nc[nH]c(=O)c1I
InChIInChI=1S/C10H17IN4O/c1-14(2)5-4-6-15(3)9-8(11)10(16)13-7-12-9/h7H,4-6H2,1-3H3,(H,12,13,16)
InChIKeyIPQMUTXZHLLICH-UHFFFAOYSA-N
XLogP0.76
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
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 4-[3-(dimethylamino)propyl-methylamino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(dimethylamino)propyl-methylamino]-5-iodo-1H-pyrimidin-6-one (CID 136957890) is 4-[3-(dimethylamino)propyl-methylamino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(dimethylamino)propyl-methylamino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(dimethylamino)propyl-methylamino]-5-iodo-1H-pyrimidin-6-one is CN(C)CCCN(C)c1nc[nH]c(=O)c1I.
What is the InChIKey of 4-[3-(dimethylamino)propyl-methylamino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is IPQMUTXZHLLICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17IN4O/c1-14(2)5-4-6-15(3)9-8(11)10(16)13-7-12-9/h7H,4-6H2,1-3H3,(H,12,13,16).
What are the key properties of 4-[3-(dimethylamino)propyl-methylamino]-5-iodo-1H-pyrimidin-6-one?
4-[3-(dimethylamino)propyl-methylamino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 336.18 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propyl-methylamino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136957890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).