6-methyl-5-(piperazin-1-ylmethyl)-1H-pyrimidine-2,4-dione;dihydrochloride

C10H18Cl2N4O2 — CID 71308049

IUPAC6-methyl-5-(piperazin-1-ylmethyl)-1H-pyrimidine-2,4-dione;dihydrochloride
SMILESCc1[nH]c(=O)[nH]c(=O)c1CN1CCNCC1.Cl.Cl
InChIInChI=1S/C10H16N4O2.2ClH/c1-7-8(9(15)13-10(16)12-7)6-14-4-2-11-3-5-14;;/h11H,2-6H2,1H3,(H2,12,13,15,16);2*1H
InChIKeyYPHSMOFBBJLVDH-UHFFFAOYSA-N
MW297.19 g/mol
LogP-0.38
Rot. Bonds2

About 6-methyl-5-(piperazin-1-ylmethyl)-1H-pyrimidine-2,4-dione;dihydrochloride

6-methyl-5-(piperazin-1-ylmethyl)-1H-pyrimidine-2,4-dione;dihydrochloride (PubChem CID 71308049) has the molecular formula C10H18Cl2N4O2 and a molecular weight of 297.19 g/mol. Its IUPAC name is 6-methyl-5-(piperazin-1-ylmethyl)-1H-pyrimidine-2,4-dione;dihydrochloride.

Molecular Properties

Compound Name6-methyl-5-(piperazin-1-ylmethyl)-1H-pyrimidine-2,4-dione;dihydrochloride
PubChem CID71308049
Molecular FormulaC10H18Cl2N4O2
Molecular Weight297.19 g/mol
Exact Mass296.08
IUPAC Name6-methyl-5-(piperazin-1-ylmethyl)-1H-pyrimidine-2,4-dione;dihydrochloride
SMILESCc1[nH]c(=O)[nH]c(=O)c1CN1CCNCC1.Cl.Cl
InChIInChI=1S/C10H16N4O2.2ClH/c1-7-8(9(15)13-10(16)12-7)6-14-4-2-11-3-5-14;;/h11H,2-6H2,1H3,(H2,12,13,15,16);2*1H
InChIKeyYPHSMOFBBJLVDH-UHFFFAOYSA-N
XLogP-0.38
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-methyl-5-(piperazin-1-ylmethyl)-1H-pyrimidine-2,4-dione;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Methyl-5-(1-piperidinylmethyl)-2,4-pyrimidinediol
CID 233789
5-[(4-acetylpiperazin-1-yl)methyl]-6-methylpyrimidine-2,4(1H,3H)-dione
CID 52903623
6-Methyl-5-(piperidylmethyl)pyrimidine-2,4-diol, chloride
CID 18532162
5-(piperazin-1-ylmethyl)pyrimidine-2,4(1H,3H)-dione dihydrochloride
CID 71308048
5-[(4-methylpiperazin-1-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 12706894
5-(diethylaminomethyl)-6-methyl-1H-pyrimidine-2,4-dione
CID 298967
6-[(2-aminoethylamino)methyl]-5-methyl-1H-pyrimidine-2,4-dione
CID 20668498
6-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione
CID 59755520
5,6-bis(aminomethyl)-3-propyl-1H-pyrimidine-2,4-dione
CID 67923883
6-methyl-5-[[4-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl]piperazin-1-yl]methyl]-1H-pyrimidine-2,4-dione
CID 1538711
5-[(dipropylamino)methyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 4737455
6-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1H-pyrimidine-2,4-dione
CID 4737456

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(piperazin-1-ylmethyl)-1H-pyrimidine-2,4-dione;dihydrochloride?
The IUPAC name of 6-methyl-5-(piperazin-1-ylmethyl)-1H-pyrimidine-2,4-dione;dihydrochloride (CID 71308049) is 6-methyl-5-(piperazin-1-ylmethyl)-1H-pyrimidine-2,4-dione;dihydrochloride.
What is the SMILES notation for 6-methyl-5-(piperazin-1-ylmethyl)-1H-pyrimidine-2,4-dione;dihydrochloride?
The canonical SMILES for 6-methyl-5-(piperazin-1-ylmethyl)-1H-pyrimidine-2,4-dione;dihydrochloride is Cc1[nH]c(=O)[nH]c(=O)c1CN1CCNCC1.Cl.Cl.
What is the InChIKey of 6-methyl-5-(piperazin-1-ylmethyl)-1H-pyrimidine-2,4-dione;dihydrochloride?
The InChIKey is YPHSMOFBBJLVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2.2ClH/c1-7-8(9(15)13-10(16)12-7)6-14-4-2-11-3-5-14;;/h11H,2-6H2,1H3,(H2,12,13,15,16);2*1H.
What are the key properties of 6-methyl-5-(piperazin-1-ylmethyl)-1H-pyrimidine-2,4-dione;dihydrochloride?
6-methyl-5-(piperazin-1-ylmethyl)-1H-pyrimidine-2,4-dione;dihydrochloride has a molecular weight of 297.19 g/mol, XLogP of -0.38, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(piperazin-1-ylmethyl)-1H-pyrimidine-2,4-dione;dihydrochloride is sourced from PubChem (CID 71308049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).