6-ethoxy-5-methyl-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine

C12H21N5O — CID 83025758

IUPAC6-ethoxy-5-methyl-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCOc1ncnc(NN2CCN(C)CC2)c1C
InChIInChI=1S/C12H21N5O/c1-4-18-12-10(2)11(13-9-14-12)15-17-7-5-16(3)6-8-17/h9H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyNGAIOELWMADKTQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.76
Rot. Bonds4

About 6-ethoxy-5-methyl-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine

6-ethoxy-5-methyl-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 83025758) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 6-ethoxy-5-methyl-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-5-methyl-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID83025758
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name6-ethoxy-5-methyl-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCOc1ncnc(NN2CCN(C)CC2)c1C
InChIInChI=1S/C12H21N5O/c1-4-18-12-10(2)11(13-9-14-12)15-17-7-5-16(3)6-8-17/h9H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyNGAIOELWMADKTQ-UHFFFAOYSA-N
XLogP0.76
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-5-methyl-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 83022753
N-(2,5-dimethylpyrrol-1-yl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 79106161
N-[2-(azepan-1-yl)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine
CID 66326640
6-ethyl-5-fluoro-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 114045643
5-ethyl-6-hydrazinyl-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 83027407
6-ethoxy-5-methyl-N-(2-piperazin-1-ylethyl)pyrimidin-4-amine
CID 66325131
6-N-(2-ethoxyphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine
CID 19144132
3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106258572
6-ethoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 66327674
6-ethoxy-5-methyl-N-prop-2-ynylpyrimidin-4-amine
CID 66326862
5-methoxy-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine
CID 83027699
ethyl 4-[[5-amino-6-[(4-methylpiperazin-1-yl)amino]pyrimidin-4-yl]amino]benzoate
CID 19144025

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-5-methyl-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-5-methyl-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine (CID 83025758) is 6-ethoxy-5-methyl-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-5-methyl-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-5-methyl-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine is CCOc1ncnc(NN2CCN(C)CC2)c1C.
What is the InChIKey of 6-ethoxy-5-methyl-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is NGAIOELWMADKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-4-18-12-10(2)11(13-9-14-12)15-17-7-5-16(3)6-8-17/h9H,4-8H2,1-3H3,(H,13,14,15).
What are the key properties of 6-ethoxy-5-methyl-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
6-ethoxy-5-methyl-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 251.33 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-5-methyl-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 83025758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).