5-iodo-4-[methyl(propyl)amino]-1H-pyrimidin-6-one

C8H12IN3O — CID 136957454

IUPAC5-iodo-4-[methyl(propyl)amino]-1H-pyrimidin-6-one
SMILESCCCN(C)c1nc[nH]c(=O)c1I
InChIInChI=1S/C8H12IN3O/c1-3-4-12(2)7-6(9)8(13)11-5-10-7/h5H,3-4H2,1-2H3,(H,10,11,13)
InChIKeyQOQRYJFWTUADEX-UHFFFAOYSA-N
MW293.11 g/mol
LogP1.22
Rot. Bonds3

About 5-iodo-4-[methyl(propyl)amino]-1H-pyrimidin-6-one

5-iodo-4-[methyl(propyl)amino]-1H-pyrimidin-6-one (PubChem CID 136957454) has the molecular formula C8H12IN3O and a molecular weight of 293.11 g/mol. Its IUPAC name is 5-iodo-4-[methyl(propyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[methyl(propyl)amino]-1H-pyrimidin-6-one
PubChem CID136957454
Molecular FormulaC8H12IN3O
Molecular Weight293.11 g/mol
Exact Mass293.00
IUPAC Name5-iodo-4-[methyl(propyl)amino]-1H-pyrimidin-6-one
SMILESCCCN(C)c1nc[nH]c(=O)c1I
InChIInChI=1S/C8H12IN3O/c1-3-4-12(2)7-6(9)8(13)11-5-10-7/h5H,3-4H2,1-2H3,(H,10,11,13)
InChIKeyQOQRYJFWTUADEX-UHFFFAOYSA-N
XLogP1.22
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.11
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786690
5-iodo-4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 136957048
5-iodo-4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136957545
4-[ethyl(2,2,2-trifluoroethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136957579
5-iodo-4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one
CID 136957957
4-[2,2-difluoroethyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136958115
5-iodo-4-[propyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136971136
5-iodo-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136971139
5-methyl-4-(propylamino)-1H-pyrimidin-6-one
CID 136291337
4-[butyl(methyl)amino]-1H-pyrimidin-6-one
CID 136650100
5-Iodo-3-methyl-6-(methylamino)pyrimidin-4-one
CID 129972241
4-(5-aminopentylamino)-5-iodo-1H-pyrimidin-6-one
CID 136689853

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[methyl(propyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[methyl(propyl)amino]-1H-pyrimidin-6-one (CID 136957454) is 5-iodo-4-[methyl(propyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[methyl(propyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[methyl(propyl)amino]-1H-pyrimidin-6-one is CCCN(C)c1nc[nH]c(=O)c1I.
What is the InChIKey of 5-iodo-4-[methyl(propyl)amino]-1H-pyrimidin-6-one?
The InChIKey is QOQRYJFWTUADEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12IN3O/c1-3-4-12(2)7-6(9)8(13)11-5-10-7/h5H,3-4H2,1-2H3,(H,10,11,13).
What are the key properties of 5-iodo-4-[methyl(propyl)amino]-1H-pyrimidin-6-one?
5-iodo-4-[methyl(propyl)amino]-1H-pyrimidin-6-one has a molecular weight of 293.11 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[methyl(propyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).