4-[4-(aminomethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one

C10H15IN4O — CID 136972882

IUPAC4-[4-(aminomethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
SMILESNCC1CCN(c2nc[nH]c(=O)c2I)CC1
InChIInChI=1S/C10H15IN4O/c11-8-9(13-6-14-10(8)16)15-3-1-7(5-12)2-4-15/h6-7H,1-5,12H2,(H,13,14,16)
InChIKeyADHZWOSHXNMWFD-UHFFFAOYSA-N
MW334.16 g/mol
LogP0.55
Rot. Bonds2

About 4-[4-(aminomethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one

4-[4-(aminomethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136972882) has the molecular formula C10H15IN4O and a molecular weight of 334.16 g/mol. Its IUPAC name is 4-[4-(aminomethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(aminomethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
PubChem CID136972882
Molecular FormulaC10H15IN4O
Molecular Weight334.16 g/mol
Exact Mass334.03
IUPAC Name4-[4-(aminomethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
SMILESNCC1CCN(c2nc[nH]c(=O)c2I)CC1
InChIInChI=1S/C10H15IN4O/c11-8-9(13-6-14-10(8)16)15-3-1-7(5-12)2-4-15/h6-7H,1-5,12H2,(H,13,14,16)
InChIKeyADHZWOSHXNMWFD-UHFFFAOYSA-N
XLogP0.55
TPSA75.01 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 ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(aminomethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one (CID 136972882) is 4-[4-(aminomethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(aminomethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(aminomethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one is NCC1CCN(c2nc[nH]c(=O)c2I)CC1.
What is the InChIKey of 4-[4-(aminomethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is ADHZWOSHXNMWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN4O/c11-8-9(13-6-14-10(8)16)15-3-1-7(5-12)2-4-15/h6-7H,1-5,12H2,(H,13,14,16).
What are the key properties of 4-[4-(aminomethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one?
4-[4-(aminomethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 334.16 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136972882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).