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

C10H16N4O — CID 136972885

IUPAC4-[4-(aminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESNCC1CCN(c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C10H16N4O/c11-6-8-1-3-14(4-2-8)9-5-10(15)13-7-12-9/h5,7-8H,1-4,6,11H2,(H,12,13,15)
InChIKeyFARBZPURFLKUCF-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.05
Rot. Bonds2

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

4-[4-(aminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136972885) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-[4-(aminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(aminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136972885
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name4-[4-(aminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESNCC1CCN(c2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C10H16N4O/c11-6-8-1-3-14(4-2-8)9-5-10(15)13-7-12-9/h5,7-8H,1-4,6,11H2,(H,12,13,15)
InChIKeyFARBZPURFLKUCF-UHFFFAOYSA-N
XLogP-0.05
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(aminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one (CID 136972885) is 4-[4-(aminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(aminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(aminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one is NCC1CCN(c2cc(=O)[nH]cn2)CC1.
What is the InChIKey of 4-[4-(aminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is FARBZPURFLKUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c11-6-8-1-3-14(4-2-8)9-5-10(15)13-7-12-9/h5,7-8H,1-4,6,11H2,(H,12,13,15).
What are the key properties of 4-[4-(aminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
4-[4-(aminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of -0.05, 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]-1H-pyrimidin-6-one is sourced from PubChem (CID 136972885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).