2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethylpyrimidin-4-amine

C13H23N5 — CID 115415733

IUPAC2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethylpyrimidin-4-amine
SMILESCCNc1ccnc(CC2CN(C)CCN2C)n1
InChIInChI=1S/C13H23N5/c1-4-14-12-5-6-15-13(16-12)9-11-10-17(2)7-8-18(11)3/h5-6,11H,4,7-10H2,1-3H3,(H,14,15,16)
InChIKeyHDXLTQXZPSRBOG-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.70
Rot. Bonds4

About 2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethylpyrimidin-4-amine

2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethylpyrimidin-4-amine (PubChem CID 115415733) 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]-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethylpyrimidin-4-amine
PubChem CID115415733
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethylpyrimidin-4-amine
SMILESCCNc1ccnc(CC2CN(C)CCN2C)n1
InChIInChI=1S/C13H23N5/c1-4-14-12-5-6-15-13(16-12)9-11-10-17(2)7-8-18(11)3/h5-6,11H,4,7-10H2,1-3H3,(H,14,15,16)
InChIKeyHDXLTQXZPSRBOG-UHFFFAOYSA-N
XLogP0.70
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidine
CID 115414497
[2-[(1,4-dimethylpiperazin-2-yl)methyl]pyrimidin-4-yl]methanol
CID 113305597
2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 115415736
N-[(1,4-dimethylpiperazin-2-yl)methyl]pyrido[2,3-b]pyrazin-6-amine
CID 78954799
2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 115415718
5-bromo-2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-methylpyrimidin-4-amine
CID 115415783
N-[(1,4-dimethylpiperazin-2-yl)methyl]quinolin-2-amine
CID 63896921
N-[(1,4-dimethylpiperazin-2-yl)methyl]quinoxalin-2-amine
CID 63898211
[2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
CID 115415806
6-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,6-diamine
CID 80647172
4-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-N,5-diethylpyrimidine-4,6-diamine
CID 80819508
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 63938482

Frequently Asked Questions

What is the IUPAC name of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethylpyrimidin-4-amine?
The IUPAC name of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethylpyrimidin-4-amine (CID 115415733) is 2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethylpyrimidin-4-amine?
The canonical SMILES for 2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethylpyrimidin-4-amine is CCNc1ccnc(CC2CN(C)CCN2C)n1.
What is the InChIKey of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethylpyrimidin-4-amine?
The InChIKey is HDXLTQXZPSRBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-4-14-12-5-6-15-13(16-12)9-11-10-17(2)7-8-18(11)3/h5-6,11H,4,7-10H2,1-3H3,(H,14,15,16).
What are the key properties of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethylpyrimidin-4-amine?
2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethylpyrimidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 0.70, 4 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]-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 115415733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).