[2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methylpyrimidin-4-yl]methanamine

C13H23N5 — CID 113305593

IUPAC[2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methylpyrimidin-4-yl]methanamine
SMILESCc1cc(CN)nc(CC2CN(C)CCN2C)n1
InChIInChI=1S/C13H23N5/c1-10-6-11(8-14)16-13(15-10)7-12-9-17(2)4-5-18(12)3/h6,12H,4-5,7-9,14H2,1-3H3
InChIKeyOCLXGDLOLNXRCZ-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.03
Rot. Bonds3

About [2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methylpyrimidin-4-yl]methanamine

[2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methylpyrimidin-4-yl]methanamine (PubChem CID 113305593) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is [2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methylpyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methylpyrimidin-4-yl]methanamine
PubChem CID113305593
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name[2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methylpyrimidin-4-yl]methanamine
SMILESCc1cc(CN)nc(CC2CN(C)CCN2C)n1
InChIInChI=1S/C13H23N5/c1-10-6-11(8-14)16-13(15-10)7-12-9-17(2)4-5-18(12)3/h6,12H,4-5,7-9,14H2,1-3H3
InChIKeyOCLXGDLOLNXRCZ-UHFFFAOYSA-N
XLogP0.03
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methylpyrimidin-4-yl]methanamine with MolForge

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Related Compounds

[2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
CID 115415806
[2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidin-4-yl]methanol
CID 113305597
4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methylpyrimidine-2,4-diamine
CID 78954732
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine
CID 63899169
[2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 113305589
2-[(1,4-dimethylpiperazin-2-yl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 115415776
2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 115415736
[2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-imidazol-5-yl]methanamine
CID 115415878
4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine
CID 115414497
(2-ethyl-6-methylpyrimidin-4-yl)methanamine
CID 62743734
3-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 115414351
4-(aminomethyl)-N,6-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidin-2-amine
CID 107542009

Frequently Asked Questions

What is the IUPAC name of [2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methylpyrimidin-4-yl]methanamine?
The IUPAC name of [2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methylpyrimidin-4-yl]methanamine (CID 113305593) is [2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methylpyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methylpyrimidin-4-yl]methanamine?
The canonical SMILES for [2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methylpyrimidin-4-yl]methanamine is Cc1cc(CN)nc(CC2CN(C)CCN2C)n1.
What is the InChIKey of [2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methylpyrimidin-4-yl]methanamine?
The InChIKey is OCLXGDLOLNXRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-10-6-11(8-14)16-13(15-10)7-12-9-17(2)4-5-18(12)3/h6,12H,4-5,7-9,14H2,1-3H3.
What are the key properties of [2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methylpyrimidin-4-yl]methanamine?
[2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methylpyrimidin-4-yl]methanamine has a molecular weight of 249.36 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methylpyrimidin-4-yl]methanamine is sourced from PubChem (CID 113305593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).