4-[1-(dimethylamino)propan-2-yl-ethylamino]-5-iodo-1H-pyrimidin-6-one

C11H19IN4O — CID 136800369

IUPAC4-[1-(dimethylamino)propan-2-yl-ethylamino]-5-iodo-1H-pyrimidin-6-one
SMILESCCN(c1nc[nH]c(=O)c1I)C(C)CN(C)C
InChIInChI=1S/C11H19IN4O/c1-5-16(8(2)6-15(3)4)10-9(12)11(17)14-7-13-10/h7-8H,5-6H2,1-4H3,(H,13,14,17)
InChIKeyLMIBAXYFDMAFJM-UHFFFAOYSA-N
MW350.20 g/mol
LogP1.15
Rot. Bonds5

About 4-[1-(dimethylamino)propan-2-yl-ethylamino]-5-iodo-1H-pyrimidin-6-one

4-[1-(dimethylamino)propan-2-yl-ethylamino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136800369) has the molecular formula C11H19IN4O and a molecular weight of 350.20 g/mol. Its IUPAC name is 4-[1-(dimethylamino)propan-2-yl-ethylamino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-(dimethylamino)propan-2-yl-ethylamino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136800369
Molecular FormulaC11H19IN4O
Molecular Weight350.20 g/mol
Exact Mass350.06
IUPAC Name4-[1-(dimethylamino)propan-2-yl-ethylamino]-5-iodo-1H-pyrimidin-6-one
SMILESCCN(c1nc[nH]c(=O)c1I)C(C)CN(C)C
InChIInChI=1S/C11H19IN4O/c1-5-16(8(2)6-15(3)4)10-9(12)11(17)14-7-13-10/h7-8H,5-6H2,1-4H3,(H,13,14,17)
InChIKeyLMIBAXYFDMAFJM-UHFFFAOYSA-N
XLogP1.15
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 51.15
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

Pyrimidine, 5-diethylamino-4-ethylamino-6-hydroxy-
CID 171384170
5-iodo-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136971139
5-(iodomethyl)-4-[[methyl(propan-2-yl)amino]methyl]-1H-pyrimidin-6-one
CID 155178319
3-[2-(Butan-2-ylamino)ethyl]-5-iodopyrimidin-4-one
CID 66308878
5-Iodo-3-[2-(pentan-3-ylamino)ethyl]pyrimidin-4-one
CID 66310373
3-[2-[3-(Dimethylamino)propylamino]ethyl]-5-iodo-6-methylpyrimidin-4-one
CID 66340244
3-[2-[2-(Dimethylamino)ethylamino]ethyl]-5-iodo-6-methylpyrimidin-4-one
CID 66340245
3-[2-(Butan-2-ylamino)ethyl]-5-iodo-6-methylpyrimidin-4-one
CID 66340675
5-Iodo-6-methyl-3-[2-(propan-2-ylamino)ethyl]pyrimidin-4-one
CID 66340884
3-[2-[2-(Diethylamino)ethylamino]ethyl]-5-iodo-6-methylpyrimidin-4-one
CID 66341580
5-Iodo-6-methyl-3-[2-(propylamino)ethyl]pyrimidin-4-one
CID 66341795
5-Iodo-6-methyl-3-[2-(pentan-3-ylamino)ethyl]pyrimidin-4-one
CID 66341802

Frequently Asked Questions

What is the IUPAC name of 4-[1-(dimethylamino)propan-2-yl-ethylamino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-(dimethylamino)propan-2-yl-ethylamino]-5-iodo-1H-pyrimidin-6-one (CID 136800369) is 4-[1-(dimethylamino)propan-2-yl-ethylamino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-(dimethylamino)propan-2-yl-ethylamino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-(dimethylamino)propan-2-yl-ethylamino]-5-iodo-1H-pyrimidin-6-one is CCN(c1nc[nH]c(=O)c1I)C(C)CN(C)C.
What is the InChIKey of 4-[1-(dimethylamino)propan-2-yl-ethylamino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is LMIBAXYFDMAFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19IN4O/c1-5-16(8(2)6-15(3)4)10-9(12)11(17)14-7-13-10/h7-8H,5-6H2,1-4H3,(H,13,14,17).
What are the key properties of 4-[1-(dimethylamino)propan-2-yl-ethylamino]-5-iodo-1H-pyrimidin-6-one?
4-[1-(dimethylamino)propan-2-yl-ethylamino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 350.20 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(dimethylamino)propan-2-yl-ethylamino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136800369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).