4-[2-(aminomethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one

C10H15IN4O — CID 136977760

IUPAC4-[2-(aminomethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
SMILESNCC1CCCCN1c1nc[nH]c(=O)c1I
InChIInChI=1S/C10H15IN4O/c11-8-9(13-6-14-10(8)16)15-4-2-1-3-7(15)5-12/h6-7H,1-5,12H2,(H,13,14,16)
InChIKeyDCPNJDUNCBEIMD-UHFFFAOYSA-N
MW334.16 g/mol
LogP0.69
Rot. Bonds2

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

4-[2-(aminomethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136977760) has the molecular formula C10H15IN4O and a molecular weight of 334.16 g/mol. Its IUPAC name is 4-[2-(aminomethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(aminomethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
PubChem CID136977760
Molecular FormulaC10H15IN4O
Molecular Weight334.16 g/mol
Exact Mass334.03
IUPAC Name4-[2-(aminomethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
SMILESNCC1CCCCN1c1nc[nH]c(=O)c1I
InChIInChI=1S/C10H15IN4O/c11-8-9(13-6-14-10(8)16)15-4-2-1-3-7(15)5-12/h6-7H,1-5,12H2,(H,13,14,16)
InChIKeyDCPNJDUNCBEIMD-UHFFFAOYSA-N
XLogP0.69
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 ≤ 50.69
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

4-[2-(2-bromopropyl)azepan-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136933993
5-amino-4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136978978
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carbaldehyde
CID 137008213
5-iodo-4-[2-(methylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136979010
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 137010515
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136971525
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136971343
4-[2-(2-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136989360
5-chloro-4-[2-(2-hydroxyethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136979563
4-(4-cyclopentylpiperazin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136954302
4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136978971
4-(2-ethylpiperidin-1-yl)-5-nitro-1H-pyrimidin-6-one
CID 135817345

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(aminomethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one (CID 136977760) is 4-[2-(aminomethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(aminomethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(aminomethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one is NCC1CCCCN1c1nc[nH]c(=O)c1I.
What is the InChIKey of 4-[2-(aminomethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is DCPNJDUNCBEIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN4O/c11-8-9(13-6-14-10(8)16)15-4-2-1-3-7(15)5-12/h6-7H,1-5,12H2,(H,13,14,16).
What are the key properties of 4-[2-(aminomethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one?
4-[2-(aminomethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 334.16 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136977760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).