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

C10H15IN4O — CID 136778296

IUPAC5-iodo-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
SMILESCC1CC(Nc2nc[nH]c(=O)c2I)CCN1
InChIInChI=1S/C10H15IN4O/c1-6-4-7(2-3-12-6)15-9-8(11)10(16)14-5-13-9/h5-7,12H,2-4H2,1H3,(H2,13,14,15,16)
InChIKeyKLFHPZDLMKKOLG-UHFFFAOYSA-N
MW334.16 g/mol
LogP0.93
Rot. Bonds2

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

5-iodo-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136778296) has the molecular formula C10H15IN4O and a molecular weight of 334.16 g/mol. Its IUPAC name is 5-iodo-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
PubChem CID136778296
Molecular FormulaC10H15IN4O
Molecular Weight334.16 g/mol
Exact Mass334.03
IUPAC Name5-iodo-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
SMILESCC1CC(Nc2nc[nH]c(=O)c2I)CCN1
InChIInChI=1S/C10H15IN4O/c1-6-4-7(2-3-12-6)15-9-8(11)10(16)14-5-13-9/h5-7,12H,2-4H2,1H3,(H2,13,14,15,16)
InChIKeyKLFHPZDLMKKOLG-UHFFFAOYSA-N
XLogP0.93
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 50.93
H-Bond Donors ≤ 53
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
5-Iodo-6-methyl-3-(2-piperidin-2-ylethyl)pyrimidin-4-one
CID 66340660
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-(octan-4-ylamino)-1H-pyrimidin-6-one
CID 136731498
4-(6-aminohexylamino)-5-iodo-1H-pyrimidin-6-one
CID 136755772
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
4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778298
4-[[(1R,2R)-2-aminocyclohexyl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136792788
4-[cyclopropyl(piperidin-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136805290

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one (CID 136778296) is 5-iodo-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one is CC1CC(Nc2nc[nH]c(=O)c2I)CCN1.
What is the InChIKey of 5-iodo-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is KLFHPZDLMKKOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN4O/c1-6-4-7(2-3-12-6)15-9-8(11)10(16)14-5-13-9/h5-7,12H,2-4H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-iodo-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
5-iodo-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 334.16 g/mol, XLogP of 0.93, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136778296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).