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

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

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Related Compounds

1,3-dimethyl-6-[(4-propylpiperazin-1-yl)methyl]pyrimidine-2,4-dione
CID 71900504
6-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 46673823
1,3-dimethyl-6-[[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]methyl]pyrimidine-2,4-dione
CID 55703742
1,3-dimethyl-6-[[4-(2-methylphenyl)piperazin-1-yl]methyl]pyrimidine-2,4-dione
CID 18129466
6-[[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 16580714
methyl (3S)-1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperidine-3-carboxylate
CID 79037622
6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 18129465
6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 112734010
1,3-dimethyl-6-[[(5R)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methyl]pyrimidine-2,4-dione
CID 125143495
1,3-dimethyl-6-[[4-[(2S)-1-(oxane-4-carbonyl)azepan-2-yl]piperidin-1-yl]methyl]pyrimidine-2,4-dione
CID 95346288
1,3-dimethyl-6-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine-2,4-dione
CID 95609098
1,3-dimethyl-6-[(pyrrol-1-ylamino)methyl]pyrimidine-2,4-dione
CID 79100621

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).