6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride

C13H23ClN4O2 — CID 119909687

IUPAC6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
SMILESCl.Cn1c(CN2CCC(CN)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H22N4O2.ClH/c1-15-11(7-12(18)16(2)13(15)19)9-17-5-3-10(8-14)4-6-17;/h7,10H,3-6,8-9,14H2,1-2H3;1H
InChIKeyXAALNHMGDUNOFU-UHFFFAOYSA-N
MW302.81 g/mol
LogP-0.32
Rot. Bonds3

About 6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride

6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride (PubChem CID 119909687) has the molecular formula C13H23ClN4O2 and a molecular weight of 302.81 g/mol. Its IUPAC name is 6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
PubChem CID119909687
Molecular FormulaC13H23ClN4O2
Molecular Weight302.81 g/mol
Exact Mass302.15
IUPAC Name6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
SMILESCl.Cn1c(CN2CCC(CN)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H22N4O2.ClH/c1-15-11(7-12(18)16(2)13(15)19)9-17-5-3-10(8-14)4-6-17;/h7,10H,3-6,8-9,14H2,1-2H3;1H
InChIKeyXAALNHMGDUNOFU-UHFFFAOYSA-N
XLogP-0.32
TPSA73.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride (CID 119909687) is 6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride is Cl.Cn1c(CN2CCC(CN)CC2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride?
The InChIKey is XAALNHMGDUNOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2.ClH/c1-15-11(7-12(18)16(2)13(15)19)9-17-5-3-10(8-14)4-6-17;/h7,10H,3-6,8-9,14H2,1-2H3;1H.
What are the key properties of 6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride?
6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride has a molecular weight of 302.81 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 119909687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).