5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione

C14H25N5O2 — CID 63897427

IUPAC5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCN1CCN(C)C(CNCc2cn(C)c(=O)n(C)c2=O)C1
InChIInChI=1S/C14H25N5O2/c1-16-5-6-17(2)12(10-16)8-15-7-11-9-18(3)14(21)19(4)13(11)20/h9,12,15H,5-8,10H2,1-4H3
InChIKeyVGQSRYZJCMOHJZ-UHFFFAOYSA-N
MW295.39 g/mol
LogP-1.58
Rot. Bonds4

About 5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione

5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 63897427) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID63897427
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCN1CCN(C)C(CNCc2cn(C)c(=O)n(C)c2=O)C1
InChIInChI=1S/C14H25N5O2/c1-16-5-6-17(2)12(10-16)8-15-7-11-9-18(3)14(21)19(4)13(11)20/h9,12,15H,5-8,10H2,1-4H3
InChIKeyVGQSRYZJCMOHJZ-UHFFFAOYSA-N
XLogP-1.58
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 5-1.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione with MolForge

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Related Compounds

5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 60855846
N-[(2,5-dimethylphenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63899121
N-[(4-bromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63897217
5-[(3-cyclopentylpropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 103625241
N-[(2,6-difluorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63897583
N-[(4-cyclopropylphenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 79984609
1-(1,4-dimethylpiperazin-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 63897981
4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-3-methylbenzamide
CID 114480343
1-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine
CID 97053955
1-(1,4-dimethylpiperazin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine
CID 63898350
6-[(1,4-dimethylpiperazin-2-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 63896364
N-[(3,4-dibromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 115693200

Frequently Asked Questions

What is the IUPAC name of 5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 63897427) is 5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is CN1CCN(C)C(CNCc2cn(C)c(=O)n(C)c2=O)C1.
What is the InChIKey of 5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is VGQSRYZJCMOHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-16-5-6-17(2)12(10-16)8-15-7-11-9-18(3)14(21)19(4)13(11)20/h9,12,15H,5-8,10H2,1-4H3.
What are the key properties of 5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 295.39 g/mol, XLogP of -1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 63897427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).