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

C10H15IN4O — CID 136956056

IUPAC5-iodo-4-[(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
SMILESCN1CCC(Nc2nc[nH]c(=O)c2I)CC1
InChIInChI=1S/C10H15IN4O/c1-15-4-2-7(3-5-15)14-9-8(11)10(16)13-6-12-9/h6-7H,2-5H2,1H3,(H2,12,13,14,16)
InChIKeyZCSREZPPKALCGB-UHFFFAOYSA-N
MW334.16 g/mol
LogP0.88
Rot. Bonds2

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

5-iodo-4-[(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136956056) has the molecular formula C10H15IN4O and a molecular weight of 334.16 g/mol. Its IUPAC name is 5-iodo-4-[(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
PubChem CID136956056
Molecular FormulaC10H15IN4O
Molecular Weight334.16 g/mol
Exact Mass334.03
IUPAC Name5-iodo-4-[(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
SMILESCN1CCC(Nc2nc[nH]c(=O)c2I)CC1
InChIInChI=1S/C10H15IN4O/c1-15-4-2-7(3-5-15)14-9-8(11)10(16)13-6-12-9/h6-7H,2-5H2,1H3,(H2,12,13,14,16)
InChIKeyZCSREZPPKALCGB-UHFFFAOYSA-N
XLogP0.88
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 50.88
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

6-(4-Aminopiperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136958169
2,6-Diamino-1-piperidin-4-ylpyrimidin-4-one
CID 140969377
5-Iodo-6-methyl-3-(2-piperidin-2-ylethyl)pyrimidin-4-one
CID 66340660
5-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 135575726
2-amino-6-(4-aminopiperidin-1-yl)pyrimidin-4(3H)-one
CID 135933881
4-(5-aminopentylamino)-5-iodo-1H-pyrimidin-6-one
CID 136689853
4-(2,4-dimethylpiperazin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136726430
5-iodo-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731506
5-amino-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778293
5-chloro-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778294
5-bromo-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778295
5-iodo-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778296

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one (CID 136956056) is 5-iodo-4-[(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one is CN1CCC(Nc2nc[nH]c(=O)c2I)CC1.
What is the InChIKey of 5-iodo-4-[(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is ZCSREZPPKALCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN4O/c1-15-4-2-7(3-5-15)14-9-8(11)10(16)13-6-12-9/h6-7H,2-5H2,1H3,(H2,12,13,14,16).
What are the key properties of 5-iodo-4-[(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
5-iodo-4-[(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 334.16 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).