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

C10H17N5O — CID 136972887

IUPAC5-amino-4-[4-(aminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESNCC1CCN(c2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C10H17N5O/c11-5-7-1-3-15(4-2-7)9-8(12)10(16)14-6-13-9/h6-7H,1-5,11-12H2,(H,13,14,16)
InChIKeyZWLYAZJXPMCCDZ-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.47
Rot. Bonds2

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

5-amino-4-[4-(aminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136972887) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-amino-4-[4-(aminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[4-(aminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136972887
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name5-amino-4-[4-(aminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESNCC1CCN(c2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C10H17N5O/c11-5-7-1-3-15(4-2-7)9-8(12)10(16)14-6-13-9/h6-7H,1-5,11-12H2,(H,13,14,16)
InChIKeyZWLYAZJXPMCCDZ-UHFFFAOYSA-N
XLogP-0.47
TPSA101.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[4-(aminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[4-(aminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one (CID 136972887) is 5-amino-4-[4-(aminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[4-(aminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[4-(aminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one is NCC1CCN(c2nc[nH]c(=O)c2N)CC1.
What is the InChIKey of 5-amino-4-[4-(aminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is ZWLYAZJXPMCCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c11-5-7-1-3-15(4-2-7)9-8(12)10(16)14-6-13-9/h6-7H,1-5,11-12H2,(H,13,14,16).
What are the key properties of 5-amino-4-[4-(aminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
5-amino-4-[4-(aminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of -0.47, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[4-(aminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136972887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).