4-(2,4-dimethylpiperazin-1-yl)-5-iodo-1H-pyrimidin-6-one

C10H15IN4O — CID 136726430

IUPAC4-(2,4-dimethylpiperazin-1-yl)-5-iodo-1H-pyrimidin-6-one
SMILESCC1CN(C)CCN1c1nc[nH]c(=O)c1I
InChIInChI=1S/C10H15IN4O/c1-7-5-14(2)3-4-15(7)9-8(11)10(16)13-6-12-9/h6-7H,3-5H2,1-2H3,(H,12,13,16)
InChIKeyPNMPASRGMPHBBD-UHFFFAOYSA-N
MW334.16 g/mol
LogP0.51
Rot. Bonds1

About 4-(2,4-dimethylpiperazin-1-yl)-5-iodo-1H-pyrimidin-6-one

4-(2,4-dimethylpiperazin-1-yl)-5-iodo-1H-pyrimidin-6-one (PubChem CID 136726430) has the molecular formula C10H15IN4O and a molecular weight of 334.16 g/mol. Its IUPAC name is 4-(2,4-dimethylpiperazin-1-yl)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,4-dimethylpiperazin-1-yl)-5-iodo-1H-pyrimidin-6-one
PubChem CID136726430
Molecular FormulaC10H15IN4O
Molecular Weight334.16 g/mol
Exact Mass334.03
IUPAC Name4-(2,4-dimethylpiperazin-1-yl)-5-iodo-1H-pyrimidin-6-one
SMILESCC1CN(C)CCN1c1nc[nH]c(=O)c1I
InChIInChI=1S/C10H15IN4O/c1-7-5-14(2)3-4-15(7)9-8(11)10(16)13-6-12-9/h6-7H,3-5H2,1-2H3,(H,12,13,16)
InChIKeyPNMPASRGMPHBBD-UHFFFAOYSA-N
XLogP0.51
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 50.51
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

5-iodo-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136957806
6-Amino-5-iodo-3-methyl-2-piperazin-1-ylpyrimidin-4-one
CID 175603032
5-methyl-4-piperazin-1-yl-1H-pyrimidin-6-one
CID 177783270
5-Iodo-6-methyl-3-(2-piperazin-1-ylethyl)pyrimidin-4-one
CID 66340445
5-amino-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568287
5-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 135575726
5-amino-4-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135786493
5-amino-4-(4-ethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135786494
N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide
CID 136713574
4-(2,4-dimethyl-1,4-diazepan-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136726420
5-chloro-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136726426
5-amino-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136726428

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylpiperazin-1-yl)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,4-dimethylpiperazin-1-yl)-5-iodo-1H-pyrimidin-6-one (CID 136726430) is 4-(2,4-dimethylpiperazin-1-yl)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,4-dimethylpiperazin-1-yl)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,4-dimethylpiperazin-1-yl)-5-iodo-1H-pyrimidin-6-one is CC1CN(C)CCN1c1nc[nH]c(=O)c1I.
What is the InChIKey of 4-(2,4-dimethylpiperazin-1-yl)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is PNMPASRGMPHBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN4O/c1-7-5-14(2)3-4-15(7)9-8(11)10(16)13-6-12-9/h6-7H,3-5H2,1-2H3,(H,12,13,16).
What are the key properties of 4-(2,4-dimethylpiperazin-1-yl)-5-iodo-1H-pyrimidin-6-one?
4-(2,4-dimethylpiperazin-1-yl)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 334.16 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylpiperazin-1-yl)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136726430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).