5-(iodomethyl)-4-[[methyl(propan-2-yl)amino]methyl]-1H-pyrimidin-6-one

C10H16IN3O — CID 155178319

IUPAC5-(iodomethyl)-4-[[methyl(propan-2-yl)amino]methyl]-1H-pyrimidin-6-one
SMILESCC(C)N(C)Cc1nc[nH]c(=O)c1CI
InChIInChI=1S/C10H16IN3O/c1-7(2)14(3)5-9-8(4-11)10(15)13-6-12-9/h6-7H,4-5H2,1-3H3,(H,12,13,15)
InChIKeySKHSFLPBNZQOCM-UHFFFAOYSA-N
MW321.16 g/mol
LogP1.55
Rot. Bonds4

About 5-(iodomethyl)-4-[[methyl(propan-2-yl)amino]methyl]-1H-pyrimidin-6-one

5-(iodomethyl)-4-[[methyl(propan-2-yl)amino]methyl]-1H-pyrimidin-6-one (PubChem CID 155178319) has the molecular formula C10H16IN3O and a molecular weight of 321.16 g/mol. Its IUPAC name is 5-(iodomethyl)-4-[[methyl(propan-2-yl)amino]methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(iodomethyl)-4-[[methyl(propan-2-yl)amino]methyl]-1H-pyrimidin-6-one
PubChem CID155178319
Molecular FormulaC10H16IN3O
Molecular Weight321.16 g/mol
Exact Mass321.03
IUPAC Name5-(iodomethyl)-4-[[methyl(propan-2-yl)amino]methyl]-1H-pyrimidin-6-one
SMILESCC(C)N(C)Cc1nc[nH]c(=O)c1CI
InChIInChI=1S/C10H16IN3O/c1-7(2)14(3)5-9-8(4-11)10(15)13-6-12-9/h6-7H,4-5H2,1-3H3,(H,12,13,15)
InChIKeySKHSFLPBNZQOCM-UHFFFAOYSA-N
XLogP1.55
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(iodomethyl)-4-[[methyl(propan-2-yl)amino]methyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-(iodomethyl)-4-[[methyl(propan-2-yl)amino]methyl]-1H-pyrimidin-6-one (CID 155178319) is 5-(iodomethyl)-4-[[methyl(propan-2-yl)amino]methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(iodomethyl)-4-[[methyl(propan-2-yl)amino]methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-(iodomethyl)-4-[[methyl(propan-2-yl)amino]methyl]-1H-pyrimidin-6-one is CC(C)N(C)Cc1nc[nH]c(=O)c1CI.
What is the InChIKey of 5-(iodomethyl)-4-[[methyl(propan-2-yl)amino]methyl]-1H-pyrimidin-6-one?
The InChIKey is SKHSFLPBNZQOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3O/c1-7(2)14(3)5-9-8(4-11)10(15)13-6-12-9/h6-7H,4-5H2,1-3H3,(H,12,13,15).
What are the key properties of 5-(iodomethyl)-4-[[methyl(propan-2-yl)amino]methyl]-1H-pyrimidin-6-one?
5-(iodomethyl)-4-[[methyl(propan-2-yl)amino]methyl]-1H-pyrimidin-6-one has a molecular weight of 321.16 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(iodomethyl)-4-[[methyl(propan-2-yl)amino]methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 155178319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).