2-methyl-5-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]-1H-pyrimidin-6-one;hydroiodide

C10H16IN5O — CID 120972076

IUPAC2-methyl-5-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]-1H-pyrimidin-6-one;hydroiodide
SMILESCc1ncc(CNC2=NCC(C)N2)c(=O)[nH]1.I
InChIInChI=1S/C10H15N5O.HI/c1-6-3-12-10(14-6)13-5-8-4-11-7(2)15-9(8)16;/h4,6H,3,5H2,1-2H3,(H,11,15,16)(H2,12,13,14);1H
InChIKeyPCDGJWPREMCJRQ-UHFFFAOYSA-N
MW349.18 g/mol
LogP0.13
Rot. Bonds2

About 2-methyl-5-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]-1H-pyrimidin-6-one;hydroiodide

2-methyl-5-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]-1H-pyrimidin-6-one;hydroiodide (PubChem CID 120972076) has the molecular formula C10H16IN5O and a molecular weight of 349.18 g/mol. Its IUPAC name is 2-methyl-5-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]-1H-pyrimidin-6-one;hydroiodide.

Molecular Properties

Compound Name2-methyl-5-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]-1H-pyrimidin-6-one;hydroiodide
PubChem CID120972076
Molecular FormulaC10H16IN5O
Molecular Weight349.18 g/mol
Exact Mass349.04
IUPAC Name2-methyl-5-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]-1H-pyrimidin-6-one;hydroiodide
SMILESCc1ncc(CNC2=NCC(C)N2)c(=O)[nH]1.I
InChIInChI=1S/C10H15N5O.HI/c1-6-3-12-10(14-6)13-5-8-4-11-7(2)15-9(8)16;/h4,6H,3,5H2,1-2H3,(H,11,15,16)(H2,12,13,14);1H
InChIKeyPCDGJWPREMCJRQ-UHFFFAOYSA-N
XLogP0.13
TPSA82.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]-1H-pyrimidin-6-one;hydroiodide?
The IUPAC name of 2-methyl-5-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]-1H-pyrimidin-6-one;hydroiodide (CID 120972076) is 2-methyl-5-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]-1H-pyrimidin-6-one;hydroiodide.
What is the SMILES notation for 2-methyl-5-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]-1H-pyrimidin-6-one;hydroiodide?
The canonical SMILES for 2-methyl-5-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]-1H-pyrimidin-6-one;hydroiodide is Cc1ncc(CNC2=NCC(C)N2)c(=O)[nH]1.I.
What is the InChIKey of 2-methyl-5-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]-1H-pyrimidin-6-one;hydroiodide?
The InChIKey is PCDGJWPREMCJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O.HI/c1-6-3-12-10(14-6)13-5-8-4-11-7(2)15-9(8)16;/h4,6H,3,5H2,1-2H3,(H,11,15,16)(H2,12,13,14);1H.
What are the key properties of 2-methyl-5-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]-1H-pyrimidin-6-one;hydroiodide?
2-methyl-5-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]-1H-pyrimidin-6-one;hydroiodide has a molecular weight of 349.18 g/mol, XLogP of 0.13, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]-1H-pyrimidin-6-one;hydroiodide is sourced from PubChem (CID 120972076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).