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

C12H19IN4O — CID 136954306

IUPAC5-iodo-4-[2-(4-methylpiperidin-1-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCC1CCN(CCNc2nc[nH]c(=O)c2I)CC1
InChIInChI=1S/C12H19IN4O/c1-9-2-5-17(6-3-9)7-4-14-11-10(13)12(18)16-8-15-11/h8-9H,2-7H2,1H3,(H2,14,15,16,18)
InChIKeyCIZSDTQPLQLTPX-UHFFFAOYSA-N
MW362.22 g/mol
LogP1.52
Rot. Bonds4

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

5-iodo-4-[2-(4-methylpiperidin-1-yl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136954306) has the molecular formula C12H19IN4O and a molecular weight of 362.22 g/mol. Its IUPAC name is 5-iodo-4-[2-(4-methylpiperidin-1-yl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[2-(4-methylpiperidin-1-yl)ethylamino]-1H-pyrimidin-6-one
PubChem CID136954306
Molecular FormulaC12H19IN4O
Molecular Weight362.22 g/mol
Exact Mass362.06
IUPAC Name5-iodo-4-[2-(4-methylpiperidin-1-yl)ethylamino]-1H-pyrimidin-6-one
SMILESCC1CCN(CCNc2nc[nH]c(=O)c2I)CC1
InChIInChI=1S/C12H19IN4O/c1-9-2-5-17(6-3-9)7-4-14-11-10(13)12(18)16-8-15-11/h8-9H,2-7H2,1H3,(H2,14,15,16,18)
InChIKeyCIZSDTQPLQLTPX-UHFFFAOYSA-N
XLogP1.52
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957963
6-Amino-5-iodo-3-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-one
CID 175829408
5-Iodo-6-methyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one
CID 66340229
5-Iodo-3-(2-piperidin-4-ylethyl)pyrimidin-4-one
CID 105061180
5-Iodo-6-methyl-3-(2-piperidin-4-ylethyl)pyrimidin-4-one
CID 105061181
5-amino-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568286
5-amino-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568288
4-[2-(2-aminoethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one
CID 136704111
4-[cyclobutylmethyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136716230
5-amino-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136731876
4-(3-bromo-4-methylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136749175
4-[4-(1-bromoethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136772460

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[2-(4-methylpiperidin-1-yl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[2-(4-methylpiperidin-1-yl)ethylamino]-1H-pyrimidin-6-one (CID 136954306) is 5-iodo-4-[2-(4-methylpiperidin-1-yl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[2-(4-methylpiperidin-1-yl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[2-(4-methylpiperidin-1-yl)ethylamino]-1H-pyrimidin-6-one is CC1CCN(CCNc2nc[nH]c(=O)c2I)CC1.
What is the InChIKey of 5-iodo-4-[2-(4-methylpiperidin-1-yl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is CIZSDTQPLQLTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19IN4O/c1-9-2-5-17(6-3-9)7-4-14-11-10(13)12(18)16-8-15-11/h8-9H,2-7H2,1H3,(H2,14,15,16,18).
What are the key properties of 5-iodo-4-[2-(4-methylpiperidin-1-yl)ethylamino]-1H-pyrimidin-6-one?
5-iodo-4-[2-(4-methylpiperidin-1-yl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 362.22 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[2-(4-methylpiperidin-1-yl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136954306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).